N-(4-Benzyl-1,2,3,4-thiatriazol-5(4H)-ylidene)methanesulfonamide

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Basic information

CAS: 132712-77-7
Standard SMILES: CS(=O)(=O)N=c1snnn1Cc1ccccc1
InChIKey: UILNNQHFISORCO-UHFFFAOYSA-N
Molecular formula: C9H10N4O2S2
Average molar mass: 270.3 g/mol
Monoisotopic mass: 270.02451792

Names & identifiers

Preferred name: N-(4-Benzyl-1,2,3,4-thiatriazol-5(4H)-ylidene)methanesulfonamide
IUPAC: N-(4-benzylthiatriazol-5-ylidene)methanesulfonamide

Names & synonyms

DTXSID001143728N-(4-Benzyl-1,2,3,4-thiatriazol-5(4H)-ylidene)methanesulfonamideMethanesulfonamide, N-[4-(phenylmethyl)-1,2,3,4-thiatriazol-5(4H)-ylidene]-132712-77-7

Database identifiers

CAS: 132712-77-7
PubChem CID: 85446293
DTXSID: DTXSID001143728

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 108 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 421

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