S-butyl 2-hydroxypropanethioate
TL;DR: S-butyl 2-hydroxypropanethioate (CAS 63860-11-7) is a chemical compound with molecular formula C7H14O2S and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl 2-hydroxypropanethioate
Also Known As: S-butyl 2-hydroxypropanethioate
| Molecular Formula | C7H14O2S |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.07146 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 63860-11-7 |
|---|---|
| SMILES | CCCCSC(=O)C(C)O |
| InChIKey | UCASPLQJBADHET-UHFFFAOYSA-N |
Product Overview
S-butyl 2-hydroxypropanethioate (CAS 63860-11-7), with molecular formula C7H14O2S and molecular weight 162.07 g/mol. IUPAC: S-butyl 2-hydroxypropanethioate.
Chemical Property Profile of S-butyl 2-hydroxypropanethioate
Property Insights of S-butyl 2-hydroxypropanethioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-butyl 2-hydroxypropanethioate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-butyl 2-hydroxypropanethioate. Following Lipinski's Rule of Five, S-butyl 2-hydroxypropanethioate has 1 hydrogen bond donor(s) and 3 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 S-butyl 2-hydroxypropanethioate?
The CAS number of S-butyl 2-hydroxypropanethioate is 63860-11-7.
What is the molecular formula of S-butyl 2-hydroxypropanethioate?
The molecular formula of S-butyl 2-hydroxypropanethioate is C7H14O2S.
What is the molecular weight of S-butyl 2-hydroxypropanethioate?
The molecular weight of S-butyl 2-hydroxypropanethioate is 162.07 g/mol.
Where can I buy S-butyl 2-hydroxypropanethioate?
You can request a quote for S-butyl 2-hydroxypropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl 2-hydroxypropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl 2-hydroxypropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.