Basic information
- CAS
67130-91-0- Standard SMILES
C1SCc2c1c1c(c3c2CSC3)CSC1- InChIKey
WCFPIYZXBYMKIE-UHFFFAOYSA-N- Molecular formula
- C12H12S3
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.0101139
Names & identifiers
- Preferred name
- 1,3,4,6,7,9-Hexahydro-benzo[1,2-c:3,4-c':5,6-c'']trithiophene
- IUPAC
- 4,9,14-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-triene
- English name
- 1,3,4,6,7,9-HEXAHYDRO-BENZO[1,2-C:3,4-C':5,6-C'']TRITHIOPHENE
- Molecular formula
- C12H12S3
- Molecular weight
- 252.42
Names & synonyms
67130-91-01,3,4,6,7,9-hexahydro-benzo[1,2-c:3,4-c':5,6-c'']trithiophene1,3,4,6,7,9-Hexahydrobenzo[1,2-c:3,4-c':5,6-c'']trithiophene4,9,14-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,6,11-trieneNSC149603DTXSID40302191NSC-1496031,3,4,6,7,9-Hexahydrobenzo[1,2-c:3,4-c':5,6-c'']tristhiophene1,3,4,6,7,9-Hexahydro-benzo[1,2-c:3,4-c'':5,6-c'''']trithiopheneBenzo[1,2-c:3,4-c':5,6-c'']trithiophene, 1,3,4,6,7,9-hexahydro- (9CI)
Database identifiers
- CAS
67130-91-0- PubChem CID
- 288405
- DTXSID
DTXSID40302191
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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