2-Methyl-5-phenyl-6a-thiathiophthene
3-methyl-7-phenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 2-Methyl-5-phenyl-6a-thiathiophthene|7-methyl-3-phenyl-1|AO-840/42717898|2-methyl-5-phenyl-7lambda~4~-[1,2]dithiolo[1,5-b][1,2]dithiole|3-methyl-7-phenyl-1lambda4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene|[1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV, 2-methyl-5-phenyl-
CAS: 1016-98-4
| Molecular Formula | C12H10S3 |
|---|---|
| Molecular Weight | 249.99446 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.99446 |
| Monoisotopic Mass | 249.99446 |
| Heavy Atoms | 15 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 1016-98-4 |
|---|---|
| SMILES | CC1=CC2=S(S1)SC(=C2)C3=CC=CC=C3 |
| InChIKey | PLHURWKLVJJSMF-UHFFFAOYSA-N |
Product Overview
2-Methyl-5-phenyl-6a-thiathiophthene (CAS 1016-98-4), with molecular formula C12H10S3 and molecular weight 249.99446 g/mol. IUPAC: 3-methyl-7-phenyl-1λ4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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