1,3-dimethyl-2-thiourea

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UUID 098a252a-9092-48ca-853a-0b1dc64c9d9f

Flow Object ID fo-b4f6ad04875d0a18

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 534-13-4

EC Numbers 208-588-2

prefLabel

Language	Value	Provenance
`en`	`1,3-dimethyl-2-thiourea`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,3-Dimethylisothiourea`
`en`	`1,3-Dimethylthiourea`
`en`	`<em>N</em>,<em>N</em>′-Dimethylthiourea`
`en`	`<em>sym</em>-Dimethylthiourea`
`en`	`Dimethylthiocarbamide`
`en`	`NSC 8727`
`en`	`Thiourea, <em>N</em>,<em>N</em>′-dimethyl-`
`en`	`Urea, 1,3-dimethyl-2-thio-`

References

Shared Properties

Predicate	Value
InChIKey	`ITYMTTQVNYAJAA-UHFFFAOYSA-N, VLCDUOXHFNUCKK-UHFFFAOYSA-N, ZQGWBPQBZHMUFG-UHFFFAOYSA-N`
InChI	`InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3, InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6), InChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)`
IUPAC name	1,1-dimethylthiourea, 1,3-dimethylthiourea, [9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, [9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate, propanoic acid [9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester, propionic acid (9-fluoro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl) ester
Molecular formula	`C25H33FO6, C3H8N2S`
SMILES	`CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO, CN(C)C(=S)N, CNC(=S)NC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`098a252a-9092-48ca-853a-0b1dc64c9d9f`	1,3-dimethyl-2-thiourea

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	1,3-dimethyl-2-thiourea	Emissions/Emissions to water/Emissions to fresh water	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=1,3-dimethyl-2-thiourea\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=534-13-4; added Common Chemistry CAS names as altLabel: 1,3-Dimethylisothiourea, 1,3-Dimethylthiourea, <em>N</em>,<em>N</em>′-Dimethylthiourea, <em>sym</em>-Dimethylthiourea, Dimethylthiocarbamide, NSC 8727, Thiourea, <em>N</em>,<em>N</em>′-dimethyl-, Urea, 1,3-dimethyl-2-thio-; object_uuid=fo-b4f6ad04875d0a18
`cas_match_labels`	1	`—`	consensus_match	group_key=1,3-dimethyl-2-thiourea\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'534-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4f6ad04875d0a18: {'534-13-4': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1,3-Dimethylisothiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Dimethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>′-Dimethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>sym</em>-Dimethylthiourea', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethylthiocarbamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8727', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thiourea, <em>N</em>,<em>N</em>′-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urea, 1,3-dimethyl-2-thio-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:534-13-4', 'https://commonchemistry.cas.org/detail?cas_rn=534-13-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=1,3-dimethyl-2-thiourea\|\|dimension=Environmental > media=Water > water_body=Surface water; cas=534-13-4; added Common Chemistry CAS names as altLabel: 1,3-Dimethylisothiourea, 1,3-Dimethylthiourea, <em>N</em>,<em>N</em>′-Dimethylthiourea, <em>sym</em>-Dimethylthiourea, Dimethylthiocarbamide, NSC 8727, Thiourea, <em>N</em>,<em>N</em>′-dimethyl-, Urea, 1,3-dimethyl-2-thio-; object_uuid=fo-b4f6ad04875d0a18
`cas_match_labels`	`None`	`{'534-13-4': 'exactMatch'}`	group_key=1,3-dimethyl-2-thiourea\|\|dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'534-13-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-b4f6ad04875d0a18: {'534-13-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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