3-氯-1,2-丁二硫醇
TL;DR: 3-氯-1,2-丁二硫醇 (CAS 101258-18-8) is a chemical compound with molecular formula C4H9ClS2 and molecular weight 155.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-1,2-丁二硫醇
3-chlorobutane-1,2-dithiol
Also Known As: Dithiol deriv., 3-Chloro-1,2-butanedithiol, 3-Chlorobutane-1,2-dithiol, BRL 567, 1,2-BUTANEDITHIOL, 3-CHLORO-
| Molecular Formula | C4H9ClS2 |
|---|---|
| Molecular Weight | 155.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.98341 |
| Heavy Atoms | 7 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 101258-18-8 |
|---|---|
| SMILES | CC(C(CS)S)Cl |
| InChIKey | OYLZHOVWWSXGFS-UHFFFAOYSA-N |
Product Overview
3-氯-1,2-丁二硫醇 (CAS 101258-18-8), with molecular formula C4H9ClS2 and molecular weight 155.98 g/mol. IUPAC: 3-chlorobutane-1,2-dithiol.
Chemical Property Profile of 3-氯-1,2-丁二硫醇
Property Insights of 3-氯-1,2-丁二硫醇
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-1,2-丁二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 3-氯-1,2-丁二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-1,2-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 3-氯-1,2-丁二硫醇?
The CAS number of 3-氯-1,2-丁二硫醇 is 101258-18-8.
What is the molecular formula of 3-氯-1,2-丁二硫醇?
The molecular formula of 3-氯-1,2-丁二硫醇 is C4H9ClS2.
What is the molecular weight of 3-氯-1,2-丁二硫醇?
The molecular weight of 3-氯-1,2-丁二硫醇 is 155.98 g/mol.
Where can I buy 3-氯-1,2-丁二硫醇?
You can request a quote for 3-氯-1,2-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 3-氯-1,2-丁二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-1,2-丁二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.