Hexahydro-1H-cyclopenta(c)thiophene
TL;DR: Hexahydro-1H-cyclopenta(c)thiophene (CAS 5661-11-0) is a chemical compound with molecular formula C7H12S and molecular weight 128.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene
Also Known As: Hexahydro-1H-cyclopenta[c]thiophene, cis-3-Thiabicyclo[3.3.0]octane, Hexahydro-1H-cyclopenta(c)thiophene, 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene, RefChem:347525
| Molecular Formula | C7H12S |
|---|---|
| Molecular Weight | 128.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.06598 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 5661-11-0 |
|---|---|
| SMILES | C1CC2CSCC2C1 |
| InChIKey | LWUUYKDNLQFDIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1H-cyclopenta(c)thiophene (CAS 5661-11-0), with molecular formula C7H12S and molecular weight 128.07 g/mol. IUPAC: 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene.
Chemical Property Profile of Hexahydro-1H-cyclopenta(c)thiophene
Property Insights of Hexahydro-1H-cyclopenta(c)thiophene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1H-cyclopenta(c)thiophene. With a topological polar surface area (TPSA) of 25.3 Ų, Hexahydro-1H-cyclopenta(c)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-cyclopenta(c)thiophene has 0 hydrogen bond donor(s) and 1 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 Hexahydro-1H-cyclopenta(c)thiophene?
The CAS number of Hexahydro-1H-cyclopenta(c)thiophene is 5661-11-0.
What is the molecular formula of Hexahydro-1H-cyclopenta(c)thiophene?
The molecular formula of Hexahydro-1H-cyclopenta(c)thiophene is C7H12S.
What is the molecular weight of Hexahydro-1H-cyclopenta(c)thiophene?
The molecular weight of Hexahydro-1H-cyclopenta(c)thiophene is 128.07 g/mol.
Where can I buy Hexahydro-1H-cyclopenta(c)thiophene?
You can request a quote for Hexahydro-1H-cyclopenta(c)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-cyclopenta(c)thiophene?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-cyclopenta(c)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.