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7H-Cyclopenta[1,2-b:3,4-b']dithiophene
TL;DR: 7H-Cyclopenta[1,2-b:3,4-b']dithiophene (CAS 17965-47-8) is a chemical compound with molecular formula C9H6S2 and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
Also Known As: 7H-Cyclopenta[1,2-b:3,4-b']dithiophene, 7H-Cyclopenta(1,2-b:3,4-b')dithiophene, 7H-Cyclopenta[1,2-b:3,4-b/']dithiophene, 7H-Cyclopenta[1,2-b;3,4-b]dithiophene, 7H-cyclopenta[1,2-b:3,4-b']bisthiophene
| Molecular Formula | C9H6S2 |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.99109 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 17965-47-8 |
|---|---|
| SMILES | C1C2=C(C3=C1SC=C3)SC=C2 |
| InChIKey | XTKJDHXAWHORLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7H-Cyclopenta[1,2-b:3,4-b']dithiophene (CAS 17965-47-8), with molecular formula C9H6S2 and molecular weight 177.99 g/mol. IUPAC: 3,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene.
Chemical Property Profile of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene
Property Insights of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene
The XLogP value of 3.0 indicates that 7H-Cyclopenta[1,2-b:3,4-b']dithiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 7H-Cyclopenta[1,2-b:3,4-b']dithiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Cyclopenta[1,2-b:3,4-b']dithiophene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene?
The CAS number of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene is 17965-47-8.
What is the molecular formula of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene?
The molecular formula of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene is C9H6S2.
What is the molecular weight of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene?
The molecular weight of 7H-Cyclopenta[1,2-b:3,4-b']dithiophene is 177.99 g/mol.
Where can I buy 7H-Cyclopenta[1,2-b:3,4-b']dithiophene?
You can request a quote for 7H-Cyclopenta[1,2-b:3,4-b']dithiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Cyclopenta[1,2-b:3,4-b']dithiophene?
Yes, KEHONG BIO provides custom synthesis services for 7H-Cyclopenta[1,2-b:3,4-b']dithiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.