Basic information
- CAS
18334-60-6- Standard SMILES
S=c1ssc(=Nc2ccccc2)n1-c1ccccc1- InChIKey
MACRUZXACQKSIC-UHFFFAOYSA-N- Molecular formula
- C14H10N2S3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.00061185
Names & identifiers
- Preferred name
- 4-Phenyl-5-(phenylimino)-1,2,4-dithiazolidine-3-thione
- IUPAC
- 4-phenyl-5-phenylimino-1,2,4-dithiazolidine-3-thione
Names & synonyms
BRN 02405234-Phenyl-5-(phenylimino)-1,2,4-dithiazolidine-3-thione1,2,4-Dithiazolidine-3-thione, 4-phenyl-5-(phenylimino)-0-27-00-00513 (Beilstein Handbook Reference)18334-60-6SCHEMBL11025240SCHEMBL11025244
Database identifiers
- CAS
18334-60-6- PubChem CID
- 205609
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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