2,2-Dimethyl-3-sulfanylpropan-1-ol
TL;DR: 2,2-Dimethyl-3-sulfanylpropan-1-ol (CAS 15718-66-8) is a chemical compound with molecular formula C5H12OS and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-sulfanylpropan-1-ol
Also Known As: 2,2-dimethyl-3-sulfanylpropan-1-ol, 2,2-Dimethyl-3-mercapto-1-propanol, 3-Mercapto-2,2-dimethyl-1-propanol, 2,2-dimethyl-3-hydroxypropanethiol, 1-PROPANOL,3-MERCAPTO-2,2-DIMETHYL-
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 15718-66-8 |
|---|---|
| SMILES | CC(C)(CO)CS |
| InChIKey | YCCMKEDQXNVBHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-3-sulfanylpropan-1-ol (CAS 15718-66-8), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 2,2-dimethyl-3-sulfanylpropan-1-ol.
Chemical Property Profile of 2,2-Dimethyl-3-sulfanylpropan-1-ol
Property Insights of 2,2-Dimethyl-3-sulfanylpropan-1-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-sulfanylpropan-1-ol. With a topological polar surface area (TPSA) of 21.2 Ų, 2,2-Dimethyl-3-sulfanylpropan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-sulfanylpropan-1-ol 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 2,2-Dimethyl-3-sulfanylpropan-1-ol?
The CAS number of 2,2-Dimethyl-3-sulfanylpropan-1-ol is 15718-66-8.
What is the molecular formula of 2,2-Dimethyl-3-sulfanylpropan-1-ol?
The molecular formula of 2,2-Dimethyl-3-sulfanylpropan-1-ol is C5H12OS.
What is the molecular weight of 2,2-Dimethyl-3-sulfanylpropan-1-ol?
The molecular weight of 2,2-Dimethyl-3-sulfanylpropan-1-ol is 120.06 g/mol.
Where can I buy 2,2-Dimethyl-3-sulfanylpropan-1-ol?
You can request a quote for 2,2-Dimethyl-3-sulfanylpropan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-sulfanylpropan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-sulfanylpropan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.