← Back to consensus flow objects
Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone
| Flow Object ID | fo-02177f2edc95af35 | ||||
|---|---|---|---|---|---|
| Type | Consensus | ||||
| prefLabel |
|
||||
| CAS Numbers | 18523-69-8 | ||||
| Changes Applied | 13 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
CUWVNOSSZYUJAE-UHFFFAOYSA-N, UCTPNCITVKAWEJ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C10H10N4O3S/c1-6(2)12-13-10-11-5-8(18-10)7-3-4-9(17-7)14(15)16/h3-5H,1-2H3,(H,11,13), InChI=1S/C10H10N4O3S/c1-6(2)12-13-10-11-7(5-18-10)8-3-4-9(17-8)14(15)16/h3-5H,1-2H3,(H,11,13)
|
| IUPAC name |
(isopropylideneamino)-[4-(5-nitro-2-furyl)thiazol-2-yl]amine, (isopropylideneamino)-[5-(5-nitro-2-furyl)thiazol-2-yl]amine, 4-(5-nitro-2-furanyl)-N-(propan-2-ylideneamino)-2-thiazolamine, 4-(5-nitrofuran-2-yl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine, 5-(5-nitro-2-furanyl)-N-(propan-2-ylideneamino)-2-thiazolamine, 5-(5-nitrofuran-2-yl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine, N-(isopropylideneamino)-4-(5-nitro-2-furyl)thiazol-2-amine, N-(isopropylideneamino)-5-(5-nitro-2-furyl)thiazol-2-amine
|
| Molecular formula |
C10H10N4O3S
|
| SMILES |
CC(=NNC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-])C, CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.804D
- https://commonchemistry.cas.org/detail?cas_rn=18523-69-8
- https://comptox.epa.gov/dashboard/DTXSID2020008
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9NV6Z7N42W
- https://pubchem.ncbi.nlm.nih.gov/compound/29118
- https://pubchem.ncbi.nlm.nih.gov/compound/4415524
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL259553
- https://www.wikidata.org/wiki/Q63088090
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3e4c8d4f… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
b4cc0f04… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 1 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 1 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 1 |
08a91e70… |
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 |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
08a91e70… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
3e4c8d4f… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
b4cc0f04… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
fe0acd60… |
cas_match_labels |
— |
{"18523-69-8":"exactMatch"} |
group_key=acetone[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'18523-69-8': []}; assigned CAS labels from group consensus; object_uuid=fo-02177f2edc95af35: {'18523-69-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-02177f2edc95af35",
"prefLabel": [
{
"@value": "Acetone [4-(5-nitro-2-furyl)-2-thiazolyl]hydrazone",
"@language": "en",
"@lang": "en",
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],
"altLabel": [],
"properties": {
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"@value": [
"C10H10N4O3S"
],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"CUWVNOSSZYUJAE-UHFFFAOYSA-N",
"UCTPNCITVKAWEJ-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(=NNC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-])C",
"CC(=NNC1=NC=C(S1)C2=CC=C(O2)[N+](=O)[O-])C"
],
"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C10H10N4O3S/c1-6(2)12-13-10-11-5-8(18-10)7-3-4-9(17-7)14(15)16/h3-5H,1-2H3,(H,11,13)",
"InChI=1S/C10H10N4O3S/c1-6(2)12-13-10-11-7(5-18-10)8-3-4-9(17-8)14(15)16/h3-5H,1-2H3,(H,11,13)"
],
"rdfs:label": "InChI",
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"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(isopropylideneamino)-[4-(5-nitro-2-furyl)thiazol-2-yl]amine",
"(isopropylideneamino)-[5-(5-nitro-2-furyl)thiazol-2-yl]amine",
"4-(5-nitro-2-furanyl)-N-(propan-2-ylideneamino)-2-thiazolamine",
"4-(5-nitrofuran-2-yl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine",
"5-(5-nitro-2-furanyl)-N-(propan-2-ylideneamino)-2-thiazolamine",
"5-(5-nitrofuran-2-yl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine",
"N-(isopropylideneamino)-4-(5-nitro-2-furyl)thiazol-2-amine",
"N-(isopropylideneamino)-5-(5-nitro-2-furyl)thiazol-2-amine"
],
"rdfs:label": "IUPAC name",
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},
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},
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"created_from": {
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"seed_uuid": "08a91e70-3ddc-11dd-992b-0050c2490048",
"seed_source": "EF 3.1"
},
"classifications": {
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"skos:exactMatch": [
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}