S-(1-Methyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate
Basic information
- CAS
52065-86-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Sc2nnnn2C)c(C)c1- InChIKey
YNZVHRCPNYQLEI-UHFFFAOYSA-N- Molecular formula
- C11H14N4O2S2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.05581805
Names & identifiers
- Preferred name
- S-(1-Methyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioate
- IUPAC
- 1-methyl-5-(2,4,6-trimethylphenyl)sulfonylsulfanyltetrazole
Names & synonyms
52065-86-8S-(1-Methyl-1H-tetraazol-5-yl) 2,4,6-trimethylbenzenesulfonothioateNSC 297591DTXSID60200044RefChem:379392DTXCID60122535NSC297591NSC-2975911-methyl-5-(2,4,6-trimethylphenyl)sulfonylsulfanyl-tetrazoleS-(1-Methyl-1H-tetrazol-5-yl) 2,4,6-trimethylbenzene-1-sulfonothioate
Database identifiers
- CAS
52065-86-8- PubChem CID
- 326376
- DTXSID
DTXSID60200044
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…