噻环庚烷
TL;DR: 噻环庚烷 (CAS 4753-80-4) is a chemical compound with molecular formula C6H12S and molecular weight 116.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻环庚烷
thiepane
Also Known As: Thiepane, thiepan, Thiacycloheptane, Hexahydrothiepin, Hexamethylene sulfide
| Molecular Formula | C6H12S |
|---|---|
| Molecular Weight | 116.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.06597 |
| Heavy Atoms | 7 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 4753-80-4 |
|---|---|
| SMILES | C1CCCSCC1 |
| InChIKey | JWCVYQRPINPYQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻环庚烷 (CAS 4753-80-4), with molecular formula C6H12S and molecular weight 116.07 g/mol. IUPAC: thiepane.
Chemical Property Profile of 噻环庚烷
Property Insights of 噻环庚烷
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻环庚烷. With a topological polar surface area (TPSA) of 25.3 Ų, 噻环庚烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 噻环庚烷 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 噻环庚烷?
The CAS number of 噻环庚烷 is 4753-80-4.
What is the molecular formula of 噻环庚烷?
The molecular formula of 噻环庚烷 is C6H12S.
What is the molecular weight of 噻环庚烷?
The molecular weight of 噻环庚烷 is 116.07 g/mol.
Where can I buy 噻环庚烷?
You can request a quote for 噻环庚烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻环庚烷?
Yes, KEHONG BIO provides custom synthesis services for 噻环庚烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.