1,3-Butanedithiol
TL;DR: 1,3-Butanedithiol (CAS 24330-52-7) 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.
butane-1,3-dithiol
Also Known As: 1,3-Butanedithiol, Butane-1,3-dithiol, 1,3-Dimercaptobutane, 1,3-butane dithiol, FEMA No. 3529
| Molecular Formula | C4H10S2 |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 122.02239 |
| Heavy Atoms | 6 |
| Complexity | 28.0 |
Chemical Identifiers
| CAS Number | 24330-52-7 |
|---|---|
| SMILES | CC(CCS)S |
| InChIKey | XMEPRJBZFCWFKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanedithiol (CAS 24330-52-7), with molecular formula C4H10S2 and molecular weight 122.02 g/mol. IUPAC: butane-1,3-dithiol.
Chemical Property Profile of 1,3-Butanedithiol
Property Insights of 1,3-Butanedithiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedithiol. With a topological polar surface area (TPSA) of 2.0 Ų, 1,3-Butanedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanedithiol 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 1,3-Butanedithiol?
The CAS number of 1,3-Butanedithiol is 24330-52-7.
What is the molecular formula of 1,3-Butanedithiol?
The molecular formula of 1,3-Butanedithiol is C4H10S2.
What is the molecular weight of 1,3-Butanedithiol?
The molecular weight of 1,3-Butanedithiol is 122.02 g/mol.
Where can I buy 1,3-Butanedithiol?
You can request a quote for 1,3-Butanedithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanedithiol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.