S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate
Basic information
- CAS
63685-01-8- Standard SMILES
CS(=O)(=O)Sc1nnnn1-c1ccccc1- InChIKey
VDKUMSRXEDMOAE-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.00886786
Names & identifiers
- Preferred name
- S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioate
- IUPAC
- 5-methylsulfonylsulfanyl-1-phenyltetrazole
Names & synonyms
ZINC4544691S-(1-phenyl-1H-tetrazol-5-yl) methanesulfonothioateSTK01349563685-01-8ZINC04544691CS(=O)(=O)Sc1nnnn1c1ccccc1DTXSID00392937MFCD03103333AKOS005377113ZINC000004544691ST508688675METHYLSULFONYLSULFANYL1PHENYLTETRAZOLE
Show more names
CS(=O)(=O)SC1=NN=NN1C2=CC=CC=C2S(1PHENYL1HTETRAZOL5YL)METHANESULFONOTHIOATE(methylsulfonyl)(1-phenyl(1,2,3,4-tetraazol-5-yl))thioMETHANESULFONOTHIOICACIDS(1PHENYL1HTETRAZOL5YL)ESTER
Database identifiers
- CAS
63685-01-8- PubChem CID
- 3486069
- DTXSID
DTXSID00392937
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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