1,4-丁二硫醇
TL;DR: 1,4-丁二硫醇 (CAS 1191-08-8) is a chemical compound with molecular formula C4H10S2 and molecular weight 122.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-丁二硫醇
butane-1,4-dithiol
Also Known As: 1,4-Butanedithiol, Butane-1,4-dithiol, 1,4-Dimercaptobutane, Tetramethylenedithiol, Dithiol deriv.
| Molecular Formula | C4H10S2 |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.02239 |
| Heavy Atoms | 6 |
| Complexity | 17.0 |
Chemical Identifiers
| CAS Number | 1191-08-8 |
|---|---|
| SMILES | C(CCS)CS |
| InChIKey | SMTOKHQOVJRXLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-丁二硫醇 (CAS 1191-08-8), with molecular formula C4H10S2 and molecular weight 122.02 g/mol. IUPAC: butane-1,4-dithiol.
Chemical Property Profile of 1,4-丁二硫醇
Property Insights of 1,4-丁二硫醇
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-丁二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 1,4-丁二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-丁二硫醇 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 1,4-丁二硫醇?
The CAS number of 1,4-丁二硫醇 is 1191-08-8.
What is the molecular formula of 1,4-丁二硫醇?
The molecular formula of 1,4-丁二硫醇 is C4H10S2.
What is the molecular weight of 1,4-丁二硫醇?
The molecular weight of 1,4-丁二硫醇 is 122.02 g/mol.
Where can I buy 1,4-丁二硫醇?
You can request a quote for 1,4-丁二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-丁二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1,4-丁二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.