1-Mercaptobutan-3-ol
TL;DR: 1-Mercaptobutan-3-ol (CAS 30098-74-9) 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.
4-sulfanylbutan-2-ol
Also Known As: 1-mercaptobutan-3-ol, 4-mercapto-2-butanol, 4-sulfanylbutan-2-ol, 3-Hydroxybutanethiol, 4-Mercaptobutan-2-ol
| Molecular Formula | C4H10OS |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 0.6871 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.045235 |
| Heavy Atoms | 6 |
| Complexity | 28.729055 |
Chemical Identifiers
| CAS Number | 30098-74-9 |
|---|---|
| SMILES | CC(CCS)O |
Product Overview
1-Mercaptobutan-3-ol (CAS 30098-74-9), with molecular formula C4H10OS and molecular weight 106.05 g/mol. IUPAC: 4-sulfanylbutan-2-ol.
Chemical Property Profile of 1-Mercaptobutan-3-ol
Property Insights of 1-Mercaptobutan-3-ol
The XLogP value of 0.6871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Mercaptobutan-3-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 1-Mercaptobutan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Mercaptobutan-3-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 1-Mercaptobutan-3-ol?
The CAS number of 1-Mercaptobutan-3-ol is 30098-74-9.
What is the molecular formula of 1-Mercaptobutan-3-ol?
The molecular formula of 1-Mercaptobutan-3-ol is C4H10OS.
What is the molecular weight of 1-Mercaptobutan-3-ol?
The molecular weight of 1-Mercaptobutan-3-ol is 106.05 g/mol.
Where can I buy 1-Mercaptobutan-3-ol?
You can request a quote for 1-Mercaptobutan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Mercaptobutan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Mercaptobutan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.