Sodium Benzothiazol-2-yl Sulphide
fo-6448d36df306ba66
Identity
- Type
- Molecular complex
- CAS
- 2492-26-4
- EC
- 219-660-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
19- 1,3-Benzothiazol-2-ylsulfanylsodium
- 2(3H)-Benzothiazolethione, sodium salt
- 2(3H)-Benzothiazolethione, sodium salt (1:1)
- 2-Benzothiazolethiol sodium salt
- 2-Mercaptobenzothiazole sodium salt
- Benzothiazole, 2-mercapto-, sodium deriv.
- Duodex
- Nacap
- Norust GL 50
- Sanbit N-G
- Sodium 2(3H)-benzothiazolethione
- Sodium 2-benzothiazolethioate
- Sodium 2-benzothiazolethiolate
- Sodium 2-benzothiazolylthiolate
- Sodium 2-mercaptobenzothiazolate
- Sodium 2-mercaptobenzothiazole
- Sodium 2-mercaptobenzothiolate
- Sodium MBT
- Sodium, (2-benzothiazolylthio)-
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | KRXFTOUYGXMRRU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9); |
| Molecular formula chemrof:molecular_formula | C7H5NNaS2 |
| Molecular mass chemrof:molecular_mass | 190.248 |
| Monoisotopic mass chemrof:monoisotopic_mass | 189.97611 |
| SMILES string chemrof:smiles_string | C1=CC=C2C(=C1)NC(=S)S2.[Na] |
Known URLs
2Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=2492-26-4 | enrich_references.consensus_cas_link |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24195611 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 36875ed8-a1b3-4dce-826d-ce38115f0ecb | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| bde06613-6a7d-496a-b06f-015996ad0e2a | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ec36c7e9-664a-4bc7-adf4-508bcf278975 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 460c788f-37d6-468c-9115-28741d81d8f8 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ff32ed39-e5f2-4723-ab20-054b568b1471 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 56726264-56f7-4b28-a3fd-9a760acbf279 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| eb32fb23-4e32-4ac9-804c-71f9d9add87c | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 971043a6-ba9e-4d6e-a0cb-b67824190803 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c875aa47-191f-4693-93b2-4ff02840ed33 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 9ead1546-2638-4b1d-bbb0-57938b611bda | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 7b739721-e056-467c-b020-a8b666898f36 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 00c1a486-bf51-4001-b437-d1e35ec18d70 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| d64c8ed0-f9e4-4861-b4fb-7ef66d7737d9 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-6448d36df306ba66",
"prefLabel": [
{
"@value": "Sodium Benzothiazol-2-yl Sulphide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "1,3-Benzothiazol-2-ylsulfanylsodium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2(3H)-Benzothiazolethione, sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2(3H)-Benzothiazolethione, sodium salt (1:1)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Benzothiazolethiol sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "2-Mercaptobenzothiazole sodium salt",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Benzothiazole, 2-mercapto-, sodium deriv.",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Duodex",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nacap",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Norust GL 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sanbit N-G",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2(3H)-benzothiazolethione",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-benzothiazolethioate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-benzothiazolethiolate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-benzothiazolylthiolate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-mercaptobenzothiazolate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-mercaptobenzothiazole",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium 2-mercaptobenzothiolate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium MBT",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sodium, (2-benzothiazolylthio)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:2492-26-4",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C7H5NNaS2"
],
"attested_by": {
"C7H5NNaS2": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24195611"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"KRXFTOUYGXMRRU-UHFFFAOYSA-N"
],
"attested_by": {
"KRXFTOUYGXMRRU-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24195611"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
],
"attested_by": {
"C1=CC=C2C(=C1)NC(=S)S2.[Na]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24195611"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);"
],
"attested_by": {
"InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24195611"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
190.248
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
],
"attested_by": {
"190.248": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
189.97611
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=CC=C2C(=C1)NC(=S)S2.[Na]"
]
}
],
"attested_by": {
"189.97611": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"2492-26-4"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24195611",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24195611;CAS:2492-26-4"
],
"prov:wasDerivedFrom": "pubchem.by_cas[2492-26-4]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "00c1a486-bf51-4001-b437-d1e35ec18d70",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_neutral",
"reason": "",
"types": [
"https://w3id.org/chemrof/MolecularComplex"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_neutral"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"2492-26-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2492-26-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"219-660-8"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=219-660-8"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/MolecularComplex"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works