N-Methyl-N-(phenylthio)benzenesulphenamide

HCID 90487

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Basic information

CAS: 24398-49-0
Standard SMILES: CN(Sc1ccccc1)Sc1ccccc1
InChIKey: KMCFEXNDAKVDBN-UHFFFAOYSA-N
Molecular formula: C13H13NS2
Average molar mass: 247.4 g/mol
Monoisotopic mass: 247.04894177

Names & identifiers

Preferred name: N-Methyl-N-(phenylthio)benzenesulphenamide
IUPAC: N,N-bis(phenylsulfanyl)methanamine
English name: N-methyl-N-(phenylthio)benzenesulphenamide
Molecular formula: C13H13NS2
Molecular weight: 247.38

Names & synonyms

N-Methyl-N-(phenylthio)benzenesulphenamide24398-49-0n,n-bis(phenylsulfanyl)methanamineEINECS 246-222-3N-Methyl-N-(phenylthio)benzenesulfenamidePBS6V6N9YTN,N-Bis(phenylthio)methylamineDTXSID80179142KMCFEXNDAKVDBN-UHFFFAOYSA-NNS00050557Benzenesulfenamide, N-methyl-N-(phenylthio)-

Database identifiers

CAS: 24398-49-0
PubChem CID: 90487
DTXSID: DTXSID80179142
UNII: PBS6V6N9YT
EC Number: 246-222-3
Nikkaji: J287.236F

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 53.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 166

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