N-(phenylcarbamothioyl)butanamide

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Basic information

CAS: 21258-35-5
Standard SMILES: CCCC(=O)NC(=S)Nc1ccccc1
InChIKey: FBNNFJLJINLWLJ-UHFFFAOYSA-N
Molecular formula: C11H14N2OS
Average molar mass: 222.31 g/mol
Monoisotopic mass: 222.08268425

Names & identifiers

Preferred name: N-(phenylcarbamothioyl)butanamide
IUPAC: N-(phenylcarbamothioyl)butanamide

Names & synonyms

N-(phenylcarbamothioyl)butanamide21258-35-5NSC 131949NSC131949DTXSID30358804STK141662AKOS003255722N-[(phenylamino)thioxomethyl]butanamideNSC-131949ST50909613

Database identifiers

CAS: 21258-35-5
PubChem CID: 916626
DTXSID: DTXSID30358804

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 73.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

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Compound notes

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