4-Thia-1-hexanethiol
TL;DR: 4-Thia-1-hexanethiol (CAS 36044-02-7) is a chemical compound with molecular formula C5H12S2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanylpropane-1-thiol
Also Known As: 4-Thia-1-hexanethiol, 3-(Ethylthio)-1-propanethiol, 3-ethylsulfanylpropane-1-thiol, 3-(ETHYLSULFANYL)PROPANE-1-THIOL, 3-(ethylthio)propane-1-thiol
| Molecular Formula | C5H12S2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.03804 |
| Heavy Atoms | 7 |
| Complexity | 29.0 |
Chemical Identifiers
| CAS Number | 36044-02-7 |
|---|---|
| SMILES | CCSCCCS |
| InChIKey | IDWYWYMYFZSZEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Thia-1-hexanethiol (CAS 36044-02-7), with molecular formula C5H12S2 and molecular weight 136.04 g/mol. IUPAC: 3-ethylsulfanylpropane-1-thiol.
Chemical Property Profile of 4-Thia-1-hexanethiol
Property Insights of 4-Thia-1-hexanethiol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Thia-1-hexanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Thia-1-hexanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Thia-1-hexanethiol 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 4-Thia-1-hexanethiol?
The CAS number of 4-Thia-1-hexanethiol is 36044-02-7.
What is the molecular formula of 4-Thia-1-hexanethiol?
The molecular formula of 4-Thia-1-hexanethiol is C5H12S2.
What is the molecular weight of 4-Thia-1-hexanethiol?
The molecular weight of 4-Thia-1-hexanethiol is 136.04 g/mol.
Where can I buy 4-Thia-1-hexanethiol?
You can request a quote for 4-Thia-1-hexanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Thia-1-hexanethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Thia-1-hexanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.