3-Thiophenethiol
TL;DR: 3-Thiophenethiol (CAS 7774-73-4) is a chemical compound with molecular formula C4H4S2 and molecular weight 115.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-3-thiol
Also Known As: Thiophene-3-thiol, 3-Thiophenethiol, 3-mercaptothiophene, allylisobutyrate, 3-Thienyl mercaptan
| Molecular Formula | C4H4S2 |
|---|---|
| Molecular Weight | 115.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.97544 |
| Heavy Atoms | 6 |
| Complexity | 44.0 |
Chemical Identifiers
| CAS Number | 7774-73-4 |
|---|---|
| SMILES | C1=CSC=C1S |
| InChIKey | VSGXHZUTTFLSBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiophenethiol (CAS 7774-73-4), with molecular formula C4H4S2 and molecular weight 115.98 g/mol. IUPAC: thiophene-3-thiol.
Chemical Property Profile of 3-Thiophenethiol
Property Insights of 3-Thiophenethiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenethiol. With a topological polar surface area (TPSA) of 29.2 Ų, 3-Thiophenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiophenethiol 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-Thiophenethiol?
The CAS number of 3-Thiophenethiol is 7774-73-4.
What is the molecular formula of 3-Thiophenethiol?
The molecular formula of 3-Thiophenethiol is C4H4S2.
What is the molecular weight of 3-Thiophenethiol?
The molecular weight of 3-Thiophenethiol is 115.98 g/mol.
Where can I buy 3-Thiophenethiol?
You can request a quote for 3-Thiophenethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenethiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.