Thiogeraniol
TL;DR: Thiogeraniol (CAS 61758-03-0) 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.
(2E)-3,7-dimethylocta-2,6-diene-1-thiol
Also Known As: Thiogeraniol, Geranyl mercaptan, null, (2E)-thiogeraniol, (2E)-3,7-dimethylocta-2,6-diene-1-thiol
| Molecular Formula | C10H18S |
|---|---|
| Molecular Weight | 170.11 g/mol |
| LogP | 3.6089 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.11292 |
| Heavy Atoms | 11 |
| Complexity | 150.2557 |
Chemical Identifiers
| CAS Number | 61758-03-0 |
|---|---|
| SMILES | CC(=CCC/C(=C/CS)/C)C |
Product Overview
Thiogeraniol (CAS 61758-03-0), with molecular formula C10H18S and molecular weight 170.11 g/mol. IUPAC: (2E)-3,7-dimethylocta-2,6-diene-1-thiol.
Chemical Property Profile of Thiogeraniol
Property Insights of Thiogeraniol
The XLogP value of 3.6089 indicates that Thiogeraniol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Thiogeraniol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiogeraniol 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 Thiogeraniol?
The CAS number of Thiogeraniol is 61758-03-0.
What is the molecular formula of Thiogeraniol?
The molecular formula of Thiogeraniol is C10H18S.
What is the molecular weight of Thiogeraniol?
The molecular weight of Thiogeraniol is 170.11 g/mol.
Where can I buy Thiogeraniol?
You can request a quote for Thiogeraniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiogeraniol?
Yes, KEHONG BIO provides custom synthesis services for Thiogeraniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.