Basic information
- CAS
214916-31-1- Standard SMILES
CN1C(=O)N(Cc2cccc(Cl)c2)S(=O)(=O)c2cscc21- InChIKey
UQLKWALTGZUBOV-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O3S2
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 341.9899623
Names & identifiers
- Preferred name
- 2H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 2-((3-chlorophenyl)methyl)-4-methyl-, 1,1-dioxide
- IUPAC
- 2-[(3-chlorophenyl)methyl]-4-methyl-1,1-dioxothieno[3,4-e][1,2,4]thiadiazin-3-one
Names & synonyms
214916-31-12H-Thieno(3,4-e)-1,2,4-thiadiazin-3(4H)-one, 2-((3-chlorophenyl)methyl)-4-methyl-, 1,1-dioxide2-((3-Chlorophenyl)methyl)-4-methylthiopheno(3,4-e)1,2,4-thiadiazaperhydroine-1,1,3-trione2-[(3-Chlorophenyl)methyl]-4-methylthiopheno[3,4-e]1,2,4-thiadiazaperhydroine-1,1,3-trione2H-Thieno[3,4-e]-1,2,4-thiadiazin-3(4H)-one, 2-[(3-chlorophenyl)methyl]-4-methyl-, 1,1-dioxideCHEMBL133057DTXSID501757972-[(3-chlorophenyl)methyl]-4-methyl-1,1-dioxo-thieno[3,4-e][1,2,4]thiadiazin-3-one2-[(3-Chlorophenyl)methyl]-4-methyl-1lambda~6~-thieno[3,4-e][1,2,4]thiadiazine-1,1,3(2H,4H)-trione
Database identifiers
- CAS
214916-31-1- PubChem CID
- 472017
- DTXSID
DTXSID50175797- ChEMBL
CHEMBL133057
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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