1,6-Octadiene-3-thiol, 3,7-dimethyl-
TL;DR: 1,6-Octadiene-3-thiol, 3,7-dimethyl- (CAS 52139-06-7) is a chemical compound with molecular formula C10H18S and molecular weight 170.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-diene-3-thiol
Also Known As: Linalyl mercaptan, thiolinalool, 3,7-Dimethylocta-1,6-diene-3-thiol, 1,6-Octadiene-3-thiol, 3,7-dimethyl-, 3,7-Dimethyl-1,6-octadiene-3-thiol
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 52139-06-7 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)S)C |
| InChIKey | PJZSIZBTDLXGEN-UHFFFAOYSA-N |
Product Overview
1,6-Octadiene-3-thiol, 3,7-dimethyl- (CAS 52139-06-7), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: 3,7-dimethylocta-1,6-diene-3-thiol.
Chemical Property Profile of 1,6-Octadiene-3-thiol, 3,7-dimethyl-
Property Insights of 1,6-Octadiene-3-thiol, 3,7-dimethyl-
The XLogP value of 3.7 indicates that 1,6-Octadiene-3-thiol, 3,7-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1,6-Octadiene-3-thiol, 3,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Octadiene-3-thiol, 3,7-dimethyl- has 1 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 1,6-Octadiene-3-thiol, 3,7-dimethyl-?
The CAS number of 1,6-Octadiene-3-thiol, 3,7-dimethyl- is 52139-06-7.
What is the molecular formula of 1,6-Octadiene-3-thiol, 3,7-dimethyl-?
The molecular formula of 1,6-Octadiene-3-thiol, 3,7-dimethyl- is C10H18S.
What is the molecular weight of 1,6-Octadiene-3-thiol, 3,7-dimethyl-?
The molecular weight of 1,6-Octadiene-3-thiol, 3,7-dimethyl- is 170.11 g/mol.
Where can I buy 1,6-Octadiene-3-thiol, 3,7-dimethyl-?
You can request a quote for 1,6-Octadiene-3-thiol, 3,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Octadiene-3-thiol, 3,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Octadiene-3-thiol, 3,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.