2-Mercapto-3-butanol
TL;DR: 2-Mercapto-3-butanol (CAS 54812-86-1) is a chemical compound with molecular formula C4H10OS and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylbutan-2-ol
Also Known As: 3-Mercapto-2-butanol, 2-Mercapto-3-butanol, 3-sulfanylbutan-2-ol, null, 3-mercaptobutan-2-ol
| Molecular Formula | C4H10OS |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 106.045235 |
| Heavy Atoms | 6 |
| Complexity | 38.0 |
| Density | 1.010-1.017 |
| Solubility | insoluble in water; miscible in alcohol and fat |
| Refractive Index | 1.476-1.485 |
Chemical Identifiers
| CAS Number | 54812-86-1 |
|---|---|
| SMILES | CC(C(C)S)O |
| InChIKey | MJQWABQELVFQJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercapto-3-butanol (CAS 54812-86-1), with molecular formula C4H10OS and molecular weight 106.05 g/mol. IUPAC: 3-sulfanylbutan-2-ol.
Chemical Property Profile of 2-Mercapto-3-butanol
Property Insights of 2-Mercapto-3-butanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-butanol. With a topological polar surface area (TPSA) of 21.2 Ų, 2-Mercapto-3-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-3-butanol 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-Mercapto-3-butanol?
The CAS number of 2-Mercapto-3-butanol is 54812-86-1.
What is the molecular formula of 2-Mercapto-3-butanol?
The molecular formula of 2-Mercapto-3-butanol is C4H10OS.
What is the molecular weight of 2-Mercapto-3-butanol?
The molecular weight of 2-Mercapto-3-butanol is 106.05 g/mol.
Where can I buy 2-Mercapto-3-butanol?
You can request a quote for 2-Mercapto-3-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.