Thenyl mercaptan
TL;DR: Thenyl mercaptan (CAS 6258-63-5) is a chemical compound with molecular formula C5H6S2 and molecular weight 129.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-ylmethanethiol
Also Known As: 2-Thenylmercaptan, 2-Thiophenemethanethiol, 2-Thienylmethanethiol, Thenyl mercaptan, thiophen-2-ylmethanethiol
| Molecular Formula | C5H6S2 |
|---|---|
| Molecular Weight | 129.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.99109 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
| Boiling Point | 166.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 6258-63-5 |
|---|---|
| SMILES | C1=CSC(=C1)CS |
| InChIKey | GCZQHDFWKVMZOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thenyl mercaptan (CAS 6258-63-5), with molecular formula C5H6S2 and molecular weight 129.99 g/mol. IUPAC: thiophen-2-ylmethanethiol.
Chemical Property Profile of Thenyl mercaptan
Property Insights of Thenyl mercaptan
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thenyl mercaptan. With a topological polar surface area (TPSA) of 29.2 Ų, Thenyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thenyl mercaptan 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 Thenyl mercaptan?
The CAS number of Thenyl mercaptan is 6258-63-5.
What is the molecular formula of Thenyl mercaptan?
The molecular formula of Thenyl mercaptan is C5H6S2.
What is the molecular weight of Thenyl mercaptan?
The molecular weight of Thenyl mercaptan is 129.99 g/mol.
Where can I buy Thenyl mercaptan?
You can request a quote for Thenyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thenyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for Thenyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.