alpha-Oxothiophen-2-acetonitrile
TL;DR: alpha-Oxothiophen-2-acetonitrile (CAS 6007-78-9) is a chemical compound with molecular formula C6H3NOS and molecular weight 136.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-2-carbonyl cyanide
Also Known As: thiophene-2-carbonyl cyanide, alpha-Oxothiophen-2-acetonitrile, Oxo(thien-2-yl)acetonitrile, 2-oxo-2-(2-thienyl)acetonitrile, 2-Thienylcarbonyl cyanide
| Molecular Formula | C6H3NOS |
|---|---|
| Molecular Weight | 136.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.99353 |
| Heavy Atoms | 9 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 6007-78-9 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C#N |
| InChIKey | IAKIUSDGUNAGEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Oxothiophen-2-acetonitrile (CAS 6007-78-9), with molecular formula C6H3NOS and molecular weight 136.99 g/mol. IUPAC: thiophene-2-carbonyl cyanide.
Chemical Property Profile of alpha-Oxothiophen-2-acetonitrile
Property Insights of alpha-Oxothiophen-2-acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Oxothiophen-2-acetonitrile. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Oxothiophen-2-acetonitrile. Following Lipinski's Rule of Five, alpha-Oxothiophen-2-acetonitrile has 0 hydrogen bond donor(s) and 3 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 alpha-Oxothiophen-2-acetonitrile?
The CAS number of alpha-Oxothiophen-2-acetonitrile is 6007-78-9.
What is the molecular formula of alpha-Oxothiophen-2-acetonitrile?
The molecular formula of alpha-Oxothiophen-2-acetonitrile is C6H3NOS.
What is the molecular weight of alpha-Oxothiophen-2-acetonitrile?
The molecular weight of alpha-Oxothiophen-2-acetonitrile is 136.99 g/mol.
Where can I buy alpha-Oxothiophen-2-acetonitrile?
You can request a quote for alpha-Oxothiophen-2-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Oxothiophen-2-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-Oxothiophen-2-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.