N-(4-chlorophenyl)-6-methyl-2,3-dihydro-1,4-dithiine-5-carboxamide

HCID 470321

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

Related reactions

3 records

Linked notes

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