3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide

HCID 5212971

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Basic information

CAS: 5727-80-0
Standard SMILES: CC(C)=NNC(=O)CCSc1ccc(Cl)cc1
InChIKey: GGQFQHAOZLBEPW-UHFFFAOYSA-N
Molecular formula: C12H15ClN2OS
Average molar mass: 270.78 g/mol
Monoisotopic mass: 270.059362

Names & identifiers

Preferred name: 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide
IUPAC: 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide

Names & synonyms

5727-80-03-[(4-chlorophenyl)sulfanyl]-N'-(propan-2-ylidene)propanehydrazide3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamideDTXSID60410404STK895447AKOS003200932

Database identifiers

CAS: 5727-80-0
PubChem CID: 5212971
DTXSID: DTXSID60410404

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 272

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