5-(Methanesulfonyl)-1-phenyl-1H-tetrazole

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Basic information

CAS: 3206-44-8
Standard SMILES: CS(=O)(=O)c1nnnn1-c1ccccc1
InChIKey: SKKDYCLQAZZJFC-UHFFFAOYSA-N
Molecular formula: C8H8N4O2S
Average molar mass: 224.24 g/mol
Monoisotopic mass: 224.03679668

Names & identifiers

Preferred name: 5-(Methanesulfonyl)-1-phenyl-1H-tetrazole
IUPAC: 5-methylsulfonyl-1-phenyltetrazole
English name: 1H-Tetrazole,5-(methylsulfonyl)-1-phenyl-
Molecular formula: C8H8N4O2S
Molecular weight: 224.23972

Names & synonyms

3206-44-85-(methanesulfonyl)-1-phenyl-1H-tetrazoleDTXSID70953938RefChem:1072561DTXCID0013819745-(methylsulfonyl)-1-phenyl-1H-tetrazole5-(methylsulfonyl)-1-phenyl-1,2,3,4-tetraazole5-methylsulfonyl-1-phenyltetrazole1H-Tetrazole,5-(methylsulfonyl)-1-phenyl-NSC141872SCHEMBL12443641SCHEMBL19857277

Show more names

STK667215AKOS003368782AT40663CCG-354065NSC-141872NCGC00167374-01ST057751SY352259

Database identifiers

CAS: 3206-44-8
PubChem CID: 285132
DTXSID: DTXSID70953938
Nikkaji: J373.547H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 86.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 307

Chemistry & industry

Upstream & downstream products

Upstream raw materials

5-(Methylthio)-1-phenyl-1H-1,2,3,4-tetraazole

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Compound notes

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