![3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol structure](/static/products/5817/58171-11-2.webp)
3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol
TL;DR: 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol (CAS 58171-11-2) is a chemical compound with molecular formula C6H11ClS2 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroprop-2-enylsulfanyl)propane-1-thiol
Also Known As: 3-[(2-chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol, 3-(2-chloroprop-2-enylsulfanyl)propane-1-thiol, 3-(2-chloro-allylsulfanyl)-propane-1-thiol, 3-(2-Chlor-allyl)-mercapto-propanthiol-(1)
| Molecular Formula | C6H11ClS2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.99907 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 58171-11-2 |
|---|---|
| SMILES | C=C(CSCCCS)Cl |
| InChIKey | ZKFSEZMMCGOMAH-UHFFFAOYSA-N |
Product Overview
3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol (CAS 58171-11-2), with molecular formula C6H11ClS2 and molecular weight 182.00 g/mol. IUPAC: 3-(2-chloroprop-2-enylsulfanyl)propane-1-thiol.
Chemical Property Profile of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol
Property Insights of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol. With a topological polar surface area (TPSA) of 26.3 Ų, 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol has 1 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-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol?
The CAS number of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol is 58171-11-2.
What is the molecular formula of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol?
The molecular formula of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol is C6H11ClS2.
What is the molecular weight of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol?
The molecular weight of 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol is 182.00 g/mol.
Where can I buy 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol?
You can request a quote for 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloroprop-2-en-1-yl)sulfanyl]propane-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.