3-Mercapto-2-methylthiophene
TL;DR: 3-Mercapto-2-methylthiophene (CAS 2527-76-6) 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.
2-methylthiophene-3-thiol
Also Known As: 2-Methylthiophene-3-thiol, 2-methyl-3-thiophenethiol, 3-Thiophenethiol, 2-methyl-, 2-Methyl-3-mercaptothiophene, 3-Mercapto-2-methylthiophene
| Molecular Formula | C5H6S2 |
|---|---|
| Molecular Weight | 129.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.99109 |
| Heavy Atoms | 7 |
| Complexity | 63.0 |
| Melting Point | 27.00 °C. @ 760.00 mm Hg |
| Boiling Point | 186.00 to 187.00 °C. @ 760.00 mm Hg |
| Solubility | slightly |
Chemical Identifiers
| CAS Number | 2527-76-6 |
|---|---|
| SMILES | CC1=C(C=CS1)S |
| InChIKey | AQXLMAYNBMTBHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Mercapto-2-methylthiophene (CAS 2527-76-6), with molecular formula C5H6S2 and molecular weight 129.99 g/mol. IUPAC: 2-methylthiophene-3-thiol.
Chemical Property Profile of 3-Mercapto-2-methylthiophene
Property Insights of 3-Mercapto-2-methylthiophene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-2-methylthiophene. With a topological polar surface area (TPSA) of 29.2 Ų, 3-Mercapto-2-methylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-2-methylthiophene 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-Mercapto-2-methylthiophene?
The CAS number of 3-Mercapto-2-methylthiophene is 2527-76-6.
What is the molecular formula of 3-Mercapto-2-methylthiophene?
The molecular formula of 3-Mercapto-2-methylthiophene is C5H6S2.
What is the molecular weight of 3-Mercapto-2-methylthiophene?
The molecular weight of 3-Mercapto-2-methylthiophene is 129.99 g/mol.
Where can I buy 3-Mercapto-2-methylthiophene?
You can request a quote for 3-Mercapto-2-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-2-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-2-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.