2-((2-Thienylmethylene)amino)benzenethiol

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Basic information

CAS: 2248690-47-1
Standard SMILES: Sc1ccccc1N=Cc1cccs1
InChIKey: JPQPPZDBOLIINU-UHFFFAOYSA-N
Molecular formula: C11H9NS2
Average molar mass: 219.3 g/mol
Monoisotopic mass: 219.01764164

Names & identifiers

Preferred name: 2-((2-Thienylmethylene)amino)benzenethiol
IUPAC: 2-(thiophen-2-ylmethylideneamino)benzenethiol

Names & synonyms

7525-70-42-((2-Thienylmethylene)amino)benzenethiolNSC270713NSC 270713MLS003115411NSC-2707132-[(2-Thienylmethylene)amino]benzenethiol2-(thiophen-2-ylmethylideneamino)benzenethiolL43XT56QAT2-Thenylidene-2-aminothiophenolCHEMBL2144050DTXSID901272867

Show more names

Benzenethiol, o-(2-thenylideneamino)-SMR0018309882-[(E)-2-thienylmethyleneamino]benzenethiol73962436AE2-[(E)-(2-Thienylmethylene)amino]benzenethiol2-[(Z)-(2-Thienylmethylene)amino]benzenethiol2-((2-Thienylmethylene)amino)phenyl hydrosulfideBenzenethiol, 2-[(E)-(2-thienylmethylene)amino]-

Database identifiers

CAS: 2248690-47-1、2248690-48-2、7525-70-4
PubChem CID: 321182
DTXSID: DTXSID901272867
ChEMBL: CHEMBL2144050
UNII: 73962436AE、L43XT56QAT

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 205

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Compound notes

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