Basic information
- CAS
142979-72-4- Standard SMILES
Cc1ccc(N=c2sc3sc(=S)n(-c4ccc(C)cc4)c3s2)cc1- InChIKey
CAYDUOXBAOYTLQ-UHFFFAOYSA-N- Molecular formula
- C18H14N2S4
- Average molar mass
- 386.6 g/mol
- Monoisotopic mass
- 386.00398315
Names & identifiers
- Preferred name
- 2,4,8-Trithia-6-azabicyclo(3.3.0)oct-9-ene-7-thione, 6-(4-methylphenyl)-3-(4-methylphenyl)imino-
- IUPAC
- 6-(4-methylphenyl)-2-(4-methylphenyl)imino-[1,3]dithiolo[4,5-d][1,3]thiazole-5-thione
Names & synonyms
142979-72-42,4,8-Trithia-6-azabicyclo(3.3.0)oct-9-ene-7-thione, 6-(4-methylphenyl)-3-(4-methylphenyl)imino-
Database identifiers
- CAS
142979-72-4- PubChem CID
- 178677
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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