6-Thia-1-heptanethiol
TL;DR: 6-Thia-1-heptanethiol (CAS 123674-86-2) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanylpentane-1-thiol
Also Known As: 6-Thia-1-heptanethiol, 5-(methylsulfanyl)pentane-1-thiol, 5-methylsulfanylpentane-1-thiol
| Molecular Formula | C6H14S2 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.0537 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 123674-86-2 |
|---|---|
| SMILES | CSCCCCCS |
| InChIKey | MWZUZTLBVFYJHR-UHFFFAOYSA-N |
Product Overview
6-Thia-1-heptanethiol (CAS 123674-86-2), with molecular formula C6H14S2 and molecular weight 150.05 g/mol. IUPAC: 5-methylsulfanylpentane-1-thiol.
Chemical Property Profile of 6-Thia-1-heptanethiol
Property Insights of 6-Thia-1-heptanethiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Thia-1-heptanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Thia-1-heptanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Thia-1-heptanethiol has 1 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 6-Thia-1-heptanethiol?
The CAS number of 6-Thia-1-heptanethiol is 123674-86-2.
What is the molecular formula of 6-Thia-1-heptanethiol?
The molecular formula of 6-Thia-1-heptanethiol is C6H14S2.
What is the molecular weight of 6-Thia-1-heptanethiol?
The molecular weight of 6-Thia-1-heptanethiol is 150.05 g/mol.
Where can I buy 6-Thia-1-heptanethiol?
You can request a quote for 6-Thia-1-heptanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Thia-1-heptanethiol?
Yes, KEHONG BIO provides custom synthesis services for 6-Thia-1-heptanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.