N-(2-methylphenyl)ethanethioamide

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Basic information

CAS: 35274-15-8
Standard SMILES: CC(=S)Nc1ccccc1C
InChIKey: ZCXXWFGENUVISX-UHFFFAOYSA-N
Molecular formula: C9H11NS
Average molar mass: 165.26 g/mol
Monoisotopic mass: 165.06122053

Names & identifiers

Preferred name: N-(2-methylphenyl)ethanethioamide
IUPAC: N-(2-methylphenyl)ethanethioamide

Names & synonyms

N-(O-TOLYL)ETHANETHIOAMIDE35274-15-8N-(2-methylphenyl)ethanethioamideNSC402535SCHEMBL863313SCHEMBL13950886SCHEMBL16204328DTXSID70391159NSC-402535CS-0277354

Database identifiers

CAS: 35274-15-8
PubChem CID: 3294516
DTXSID: DTXSID70391159

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

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Compound notes

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