← Back to consensus flow objects
N'-2-Benzothiazolyl-N-methyl-N-nitrosourea
| Flow Object ID | fo-e82a16d044b24dac | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 51542-33-7 | ||||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
WLIJZJZXWRTQIH-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C9H8N4O2S/c1-13(12-15)9(14)11-8-10-6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H,10,11,14)
|
| IUPAC name |
3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitroso-urea, 3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitrosourea
|
| Molecular formula |
C9H8N4O2S
|
| SMILES |
CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.783I
- https://commonchemistry.cas.org/detail?cas_rn=51542-33-7
- https://comptox.epa.gov/dashboard/DTXSID2021020
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RSQ7SS88XD
- https://pubchem.ncbi.nlm.nih.gov/compound/92336
- https://www.wikidata.org/wiki/Q81983698
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4d508d… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
6b439e20… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 1 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
3e4d508d… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
6b439e20… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"51542-33-7":"exactMatch"} |
group_key=n-nitrosobenzthiazuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'51542-33-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e82a16d044b24dac: {'51542-33-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e82a16d044b24dac",
"prefLabel": [
{
"@value": "N'-2-Benzothiazolyl-N-methyl-N-nitrosourea",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "N-nitrosobenzthiazuron",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C9H8N4O2S"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"prov:hadPrimarySource": [
"CID:92336"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"WLIJZJZXWRTQIH-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CN(C(=O)NC1=NC2=CC=CC=C2S1)N=O"
],
"rdfs:label": "SMILES",
"provenance": {
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"prov:hadPrimarySource": [
"CID:92336"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C9H8N4O2S/c1-13(12-15)9(14)11-8-10-6-4-2-3-5-7(6)16-8/h2-5H,1H3,(H,10,11,14)"
],
"rdfs:label": "InChI",
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92336"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitroso-urea",
"3-(1,3-benzothiazol-2-yl)-1-methyl-1-nitrosourea"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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"provenance": {
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],
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}
},
{
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"provenance": {
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},
{
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},
{
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},
{
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],
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},
{
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],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "08a91e70-3ddc-11dd-9d26-0050c2490048",
"seed_source": "EF 3.1"
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"51542-33-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=51542-33-7"
],
"skos:exactMatch": [
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],
"provenance": {
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],
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}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null
}