3-甲基噻吩
TL;DR: 3-甲基噻吩 (CAS 616-44-4) is a chemical compound with molecular formula C5H6S and molecular weight 98.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基噻吩
3-methylthiophene
Also Known As: 3-METHYLTHIOPHENE, 3-Thiotolene, Thiophene, 3-methyl-, beta-Methylthiophene, 3-methyl-thiophene
| Molecular Formula | C5H6S |
|---|---|
| Molecular Weight | 98.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.01902 |
| Heavy Atoms | 6 |
| Complexity | 43.0 |
| Melting Point | -69 °C |
| Boiling Point | 115.00 °C. @ 760.00 mm Hg |
| Solubility | 0.4 mg/mL at 25 °C |
| Vapor Pressure | 22.2 [mmHg] |
Chemical Identifiers
| CAS Number | 616-44-4 |
|---|---|
| SMILES | CC1=CSC=C1 |
| InChIKey | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基噻吩 (CAS 616-44-4), with molecular formula C5H6S and molecular weight 98.02 g/mol. IUPAC: 3-methylthiophene.
Chemical Property Profile of 3-甲基噻吩
Property Insights of 3-甲基噻吩
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基噻吩. With a topological polar surface area (TPSA) of 28.2 Ų, 3-甲基噻吩 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基噻吩 has 0 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 3-甲基噻吩?
The CAS number of 3-甲基噻吩 is 616-44-4.
What is the molecular formula of 3-甲基噻吩?
The molecular formula of 3-甲基噻吩 is C5H6S.
What is the molecular weight of 3-甲基噻吩?
The molecular weight of 3-甲基噻吩 is 98.02 g/mol.
Where can I buy 3-甲基噻吩?
You can request a quote for 3-甲基噻吩 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基噻吩?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基噻吩 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.