s-(4,5-Dihydro-1h-imidazol-2-yl) benzenecarbothioate

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Basic information

CAS: 53624-70-7
Standard SMILES: O=C(SC1=NCCN1)c1ccccc1
InChIKey: CYAXHZOXNUFVSM-UHFFFAOYSA-N
Molecular formula: C10H10N2OS
Average molar mass: 206.27 g/mol
Monoisotopic mass: 206.05138412

Names & identifiers

Preferred name: s-(4,5-Dihydro-1h-imidazol-2-yl) benzenecarbothioate
IUPAC: S-(4,5-dihydro-1H-imidazol-2-yl) benzenecarbothioate

Names & synonyms

53624-70-7s-(4,5-dihydro-1h-imidazol-2-yl) benzenecarbothioateNSC112811DTXSID60296947NSC-112811DS-0146324,5-dihydro-1H-imidazol-2-ylsulfanyl-phenyl-methanone

Database identifiers

CAS: 53624-70-7
PubChem CID: 270403
DTXSID: DTXSID60296947

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 247

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Compound notes

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