N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide
Basic information
- Standard SMILES
CC1=C(C(=O)Nc2ccc(Cl)cc2)SCCS1- InChIKey
AZSHDSWVNGNDRT-UHFFFAOYSA-N- Molecular formula
- C12H12ClNOS2
- Average molar mass
- 285.8 g/mol
Names & identifiers
- Preferred name
- N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide
- IUPAC
- N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide
Names & synonyms
SCHEMBL8930187AZSHDSWVNGNDRT-UHFFFAOYSA-NN-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamideN-(4-Chlorophenyl)-5,6-dihydro-3-methyl-1,4-dithiin-2-carboxamide3-Methyl-5,6-dihydro-[1,4]dithiine-2-carboxylic acid (4-chloro-phenyl)-amide
Database identifiers
- PubChem CID
- 470321
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Compound notes
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