1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 2-((2-methylphenyl)imino)-6-phenyl-
Basic information
- CAS
142979-73-5- Standard SMILES
Cc1ccccc1N=c1oc2c(s1)sc(=S)n2-c1ccccc1- InChIKey
NCFBCOQGVZNRAC-UHFFFAOYSA-N- Molecular formula
- C17H12N2OS3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.01117653
Names & identifiers
- Preferred name
- 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 2-((2-methylphenyl)imino)-6-phenyl-
- IUPAC
- 2-(2-methylphenyl)imino-6-phenyl-[1,3]oxathiolo[5,4-d][1,3]thiazole-5-thione
Names & synonyms
1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 2-((2-methylphenyl)imino)-6-phenyl-142979-73-5
Database identifiers
- CAS
142979-73-5- PubChem CID
- 178678
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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