3-Anilino-2-cyano-3-thioxopropanamide
TL;DR: 3-Anilino-2-cyano-3-thioxopropanamide (CAS 1137-01-5) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-cyano-3-sulfanylidenepropanamide
Also Known As: 3-anilino-2-cyano-3-thioxopropanamide, TOS-BB-0747, 3-anilino-2-cyano-3-sulfanylidenepropanamide, 2-cyano-3-(phenylamino)-3-thioxopropanamide, Propanamide, 2-cyano-3-(phenylamino)-3-thioxo-
| Molecular Formula | C10H9N3OS |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.05098 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.04663 |
| Heavy Atoms | 15 |
| Complexity | 410.42572 |
Chemical Identifiers
| CAS Number | 1137-01-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C(C#N)C(=O)N |
Product Overview
3-Anilino-2-cyano-3-thioxopropanamide (CAS 1137-01-5), with molecular formula C10H9N3OS and molecular weight 219.05 g/mol. IUPAC: 3-anilino-2-cyano-3-sulfanylidenepropanamide.
Chemical Property Profile of 3-Anilino-2-cyano-3-thioxopropanamide
Property Insights of 3-Anilino-2-cyano-3-thioxopropanamide
The XLogP value of 1.05098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Anilino-2-cyano-3-thioxopropanamide. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-cyano-3-thioxopropanamide. Following Lipinski's Rule of Five, 3-Anilino-2-cyano-3-thioxopropanamide has 2 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 3-Anilino-2-cyano-3-thioxopropanamide?
The CAS number of 3-Anilino-2-cyano-3-thioxopropanamide is 1137-01-5.
What is the molecular formula of 3-Anilino-2-cyano-3-thioxopropanamide?
The molecular formula of 3-Anilino-2-cyano-3-thioxopropanamide is C10H9N3OS.
What is the molecular weight of 3-Anilino-2-cyano-3-thioxopropanamide?
The molecular weight of 3-Anilino-2-cyano-3-thioxopropanamide is 219.05 g/mol.
Where can I buy 3-Anilino-2-cyano-3-thioxopropanamide?
You can request a quote for 3-Anilino-2-cyano-3-thioxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-cyano-3-thioxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-cyano-3-thioxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.