Basic information
- CAS
142979-75-7- Standard SMILES
Cc1ccc(-n2c(=S)sc3sc(=Nc4ccccc4C)oc32)cc1- InChIKey
ONHVYOPPDWGWSR-UHFFFAOYSA-N- Molecular formula
- C18H14N2OS3
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.02682659
Names & identifiers
- Preferred name
- 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((2-methylphenyl)imino)-
- IUPAC
- 6-(4-methylphenyl)-2-(2-methylphenyl)imino-[1,3]oxathiolo[5,4-d][1,3]thiazole-5-thione
Names & synonyms
1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((2-methylphenyl)imino)-142979-75-7
Database identifiers
- CAS
142979-75-7- PubChem CID
- 178680
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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