Allyl Mercaptan
TL;DR: Allyl Mercaptan (CAS 870-23-5) is a chemical compound with molecular formula C3H6S and molecular weight 74.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ene-1-thiol
Also Known As: ALLYL MERCAPTAN, 2-Propene-1-thiol, Allylthiol, prop-2-ene-1-thiol, Allylmercaptan
| Molecular Formula | C3H6S |
|---|---|
| Molecular Weight | 74.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 74.01902 |
| Heavy Atoms | 4 |
| Complexity | 17.0 |
| Boiling Point | 65.00 to 67.00 °C. @ 760.00 mm Hg |
| Density | 0.888-0.930 |
| Solubility | slightly soluble in water; miscible in alcohol, oil, and ethyl ether |
| Vapor Pressure | 524.0 [mmHg] |
| Refractive Index | 1.470-1.491 |
Chemical Identifiers
| CAS Number | 870-23-5 |
|---|---|
| SMILES | C=CCS |
| InChIKey | ULIKDJVNUXNQHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl Mercaptan (CAS 870-23-5), with molecular formula C3H6S and molecular weight 74.02 g/mol. IUPAC: prop-2-ene-1-thiol.
Chemical Property Profile of Allyl Mercaptan
Property Insights of Allyl Mercaptan
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl Mercaptan. With a topological polar surface area (TPSA) of 1.0 Ų, Allyl Mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl Mercaptan has 1 hydrogen bond donor(s) and 1 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 Allyl Mercaptan?
The CAS number of Allyl Mercaptan is 870-23-5.
What is the molecular formula of Allyl Mercaptan?
The molecular formula of Allyl Mercaptan is C3H6S.
What is the molecular weight of Allyl Mercaptan?
The molecular weight of Allyl Mercaptan is 74.02 g/mol.
Where can I buy Allyl Mercaptan?
You can request a quote for Allyl Mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl Mercaptan?
Yes, KEHONG BIO provides custom synthesis services for Allyl Mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.