S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
Basic information
- CAS
51618-45-2- Standard SMILES
Cc1ccc(S(=O)(=O)Sc2nnnn2C)cc1- InChIKey
HKWRBJZYIKUKHX-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2S2
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.02451792
Names & identifiers
- Preferred name
- S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
- IUPAC
- 1-methyl-5-(4-methylphenyl)sulfonylsulfanyltetrazole
- English name
- 1-methyl-5-(4-methylphenyl)sulfonylsulfanyl-tetrazole
- Molecular formula
- C9H10N4O2S2
- Molecular weight
- 270.33
Names & synonyms
51618-45-27KN5XV3HFAS-(1-Methyl-1H-tetraazol-5-yl) 4-methylbenzenesulfonothioate1-METHYL-5-(4-METHYLPHENYL)SULFONYLSULFANYL-TETRAZOLENSC-297593S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioateDTXSID40199563RefChem:202921DTXCID00122054UNII-7KN5XV3HFANSC297593NSC 297593
Show more names
Benzenesulfonothioic acid, 4-methyl-, S-(1-methyl-1H-tetrazol-5-yl) ester
SCHEMBL7370021HKWRBJZYIKUKHX-UHFFFAOYSA-NDB-3015191-methyl-5-(p-tolylsulfonylsulfanyl)tetrazoleS-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzene-1-sulfonothioatetoluene-4-thiosulfonic acid S-(1-methyl-1H-tetrazol-5-yl) ester
Database identifiers
- CAS
51618-45-2- PubChem CID
- 326378
- DTXSID
DTXSID40199563- UNII
- 7KN5XV3HFA
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- FDA UNII
- 7 KN5XV3HFA · 7KN5XV3HFA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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