噻吩-3-甲腈
TL;DR: 噻吩-3-甲腈 (CAS 1641-09-4) is a chemical compound with molecular formula C5H3NS and molecular weight 109.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻吩-3-甲腈
thiophene-3-carbonitrile
Also Known As: 3-Cyanothiophene, 3-Thiophenecarbonitrile, Thiophene-3-carbonitrile, Thiophene-3-nitrile, 3-Thiophene acetonitrile
| Molecular Formula | C5H3NS |
|---|---|
| Molecular Weight | 109.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.99862 |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 1641-09-4 |
|---|---|
| SMILES | C1=CSC=C1C#N |
| InChIKey | GSXCEVHRIVLFJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻吩-3-甲腈 (CAS 1641-09-4), with molecular formula C5H3NS and molecular weight 109.00 g/mol. IUPAC: thiophene-3-carbonitrile.
Chemical Property Profile of 噻吩-3-甲腈
Property Insights of 噻吩-3-甲腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻吩-3-甲腈. With a topological polar surface area (TPSA) of 52.0 Ų, 噻吩-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 噻吩-3-甲腈 has 0 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 噻吩-3-甲腈?
The CAS number of 噻吩-3-甲腈 is 1641-09-4.
What is the molecular formula of 噻吩-3-甲腈?
The molecular formula of 噻吩-3-甲腈 is C5H3NS.
What is the molecular weight of 噻吩-3-甲腈?
The molecular weight of 噻吩-3-甲腈 is 109.00 g/mol.
Where can I buy 噻吩-3-甲腈?
You can request a quote for 噻吩-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻吩-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 噻吩-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.