Basic information
- CAS
3806-42-6- Standard SMILES
O=C1NC(=S)SC1=Cc1ccccc1- InChIKey
OONWCXLYKDWKOU-UHFFFAOYSA-N- Molecular formula
- C10H7NOS2
- Average molar mass
- 221.3 g/mol
Overview
See also: 5-Benzylidenerhodanine (annotation moved to).
Names & identifiers
- Preferred name
- 5-Benzylidene-2-thioxothiazolidin-4-one
- IUPAC
- 5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
174813-24-2(5E)-5-benzylidene-2-mercapto-1,3-thiazol-4(5H)-one3806-42-6C10H7NOS25-benzylidene-2-thioxothiazolidin-4-one174813-23-1TimTec1_000354SCHEMBL1812224OONWCXLYKDWKOU-UHFFFAOYSA-NAKOS0306905275-benzylidene-2-sulfanyl-thiazol-4-oneDB-368141
Show more names
thiazolidin-4-one, 5-benzylidene-2-thioxo-5-[1-Phenyl-methylidene]-2-thioxo-thiazolidin-4-one
Database identifiers
- CAS
3806-42-6- PubChem CID
- 2831611
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 292
Related reactions
6 records
Compound notes
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