![Benzo[1,2-b:3,4-b':6,5-b'']trithiophene structure](/static/products/122/122357-57-7.webp)
Benzo[1,2-b:3,4-b':6,5-b'']trithiophene
TL;DR: Benzo[1,2-b:3,4-b':6,5-b'']trithiophene (CAS 122357-57-7) is a chemical compound with molecular formula C12H6S3 and molecular weight 245.96317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8,15-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene
Also Known As: 1,4,9-Trithia-trindene, NCI60_035968, benzo[1,2-b:3,4-b':6,5-b'']trithiophene, J1.272.912J, benzo(1,2-b:3,4-b':6,5-b'')trithiophene
Technical Specifications
| Molecular Formula | C12H6S3 |
| Molecular Weight | 245.96317 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.96317 Da |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
| SMILES | C1=CSC2=C3C=CSC3=C4C(=C21)C=CS4 |
| InChIKey | RBFKZOKVFNBXTJ-UHFFFAOYSA-N |
Chemical Property Profile of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene
Property Insights of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene
The XLogP value of 5.0 indicates that Benzo[1,2-b:3,4-b':6,5-b'']trithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[1,2-b:3,4-b':6,5-b'']trithiophene. Following Lipinski's Rule of Five, Benzo[1,2-b:3,4-b':6,5-b'']trithiophene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene?
The CAS number of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene is 122357-57-7.
What is the molecular formula of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene?
The molecular formula of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene is C12H6S3.
What is the molecular weight of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene?
The molecular weight of Benzo[1,2-b:3,4-b':6,5-b'']trithiophene is 245.96317 g/mol.
Where can I buy Benzo[1,2-b:3,4-b':6,5-b'']trithiophene?
You can request a quote for Benzo[1,2-b:3,4-b':6,5-b'']trithiophene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo[1,2-b:3,4-b':6,5-b'']trithiophene?
Yes, CoreyChem provides custom synthesis services for Benzo[1,2-b:3,4-b':6,5-b'']trithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.