Benzamide, N-(cyano(methylthio)methyl)-p-nitro-

HCID 35862

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Basic information

CAS: 31666-17-8
Standard SMILES: CSC(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: WHRSLRUGPLZANB-UHFFFAOYSA-N
Molecular formula: C10H9N3O3S
Average molar mass: 251.26 g/mol
Monoisotopic mass: 251.03646233

Names & identifiers

Preferred name: Benzamide, N-(cyano(methylthio)methyl)-p-nitro-
IUPAC: N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide

Names & synonyms

31666-17-8BENZAMIDE, N-(CYANO(METHYLTHIO)METHYL)-p-NITRO-RefChem:1078104N-(Cyano(methylthio)methyl)-p-nitrobenzamideNSC 177925BRN 2469759NSC177925DTXSID401384251NSC-177925DS-009830BENZAMIDE,N-[CYANO(METHYLTHIO)METHYL]-4-NITRO-

Database identifiers

CAS: 31666-17-8
PubChem CID: 35862
DTXSID: DTXSID401384251
Nikkaji: J54.767K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 124 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 338

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