3-巯基-β,4-二甲基环己烷乙硫醇
TL;DR: 3-巯基-β,4-二甲基环己烷乙硫醇 (CAS 4802-20-4) is a chemical compound with molecular formula C10H20S2 and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-巯基-β,4-二甲基环己烷乙硫醇
2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol
Also Known As: Dipentenedimercaptan, Limonene dimercaptan, Dipentene dimercaptan, p-Menthane-2,9-dithiol, 2,9-DIMERCAPTO-P-MENTHANE
| Molecular Formula | C10H20S2 |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.10065 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4802-20-4 |
|---|---|
| SMILES | CC1CCC(CC1S)C(C)CS |
| InChIKey | SUNXFMPZAFGPFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-巯基-β,4-二甲基环己烷乙硫醇 (CAS 4802-20-4), with molecular formula C10H20S2 and molecular weight 204.10 g/mol. IUPAC: 2-methyl-5-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol.
Chemical Property Profile of 3-巯基-β,4-二甲基环己烷乙硫醇
Property Insights of 3-巯基-β,4-二甲基环己烷乙硫醇
The XLogP value of 3.7 indicates that 3-巯基-β,4-二甲基环己烷乙硫醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 2.0 Ų, 3-巯基-β,4-二甲基环己烷乙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基-β,4-二甲基环己烷乙硫醇 has 2 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 3-巯基-β,4-二甲基环己烷乙硫醇?
The CAS number of 3-巯基-β,4-二甲基环己烷乙硫醇 is 4802-20-4.
What is the molecular formula of 3-巯基-β,4-二甲基环己烷乙硫醇?
The molecular formula of 3-巯基-β,4-二甲基环己烷乙硫醇 is C10H20S2.
What is the molecular weight of 3-巯基-β,4-二甲基环己烷乙硫醇?
The molecular weight of 3-巯基-β,4-二甲基环己烷乙硫醇 is 204.10 g/mol.
Where can I buy 3-巯基-β,4-二甲基环己烷乙硫醇?
You can request a quote for 3-巯基-β,4-二甲基环己烷乙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基-β,4-二甲基环己烷乙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基-β,4-二甲基环己烷乙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.