4,4-Dimethyl-7-phenyl-4H,7H-[1,2,3,5]tetrathiepino[6,7-c]pyrazole
Basic information
- CAS
105771-30-0- Standard SMILES
CC1(C)SSSc2cn(-c3ccccc3)nc2S1- InChIKey
QFPFASNEPHFRDO-UHFFFAOYSA-N- Molecular formula
- C12H12N2S4
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 311.98833309
Names & identifiers
- Preferred name
- 4,4-Dimethyl-7-phenyl-4H,7H-[1,2,3,5]tetrathiepino[6,7-c]pyrazole
- IUPAC
- 4,4-dimethyl-7-phenyl-[1,2,3,5]tetrathiepino[6,7-c]pyrazole
Names & synonyms
105771-30-0DTXSID805478074,4-Dimethyl-7-phenyl-4H,7H-[1,2,3,5]tetrathiepino[6,7-c]pyrazole
Database identifiers
- CAS
105771-30-0- PubChem CID
- 13729596
- DTXSID
DTXSID80547807
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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