2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide
Basic information
- CAS
78384-22-2- Standard SMILES
CSC1=NS(=O)(=O)N(C)C(Cl)=N1- InChIKey
SIEQOMSTNRQBGX-UHFFFAOYSA-N- Molecular formula
- C4H6ClN3O2S2
- Average molar mass
- 227.7 g/mol
- Monoisotopic mass
- 226.9589965
Names & identifiers
- Preferred name
- 2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide
- IUPAC
- 3-chloro-2-methyl-5-methylsulfanyl-1,2,4,6-thiatriazine 1,1-dioxide
Names & synonyms
2H-1,2,4,6-Thiatriazine, 3-chloro-2-methyl-5-(methylthio)-, 1,1-dioxide78384-22-2SCHEMBL11091087DTXSID602290533-Chloro-2-methyl-5-(methylsulfanyl)-1lambda~6~,2,4,6-thiatriazine-1,1(2H)-dione
Database identifiers
- CAS
78384-22-2- PubChem CID
- 157200
- DTXSID
DTXSID60229053
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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