2-Propenethioamide, 2-cyano-3-(phenylamino)-
TL;DR: 2-Propenethioamide, 2-cyano-3-(phenylamino)- (CAS 100781-94-0) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-cyanoprop-2-enethioamide
Also Known As: 3-anilino-2-cyanoprop-2-enethioamide, 2-Propenethioamide, 2-cyano-3-(phenylamino)-, 3-anilino-2-cyano-prop-2-enethioamide, 2-Propenethioamide,2-cyano-3-(phenylamino)
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 1.79208 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 389.5782 |
Chemical Identifiers
| CAS Number | 100781-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C(=S)N |
Product Overview
2-Propenethioamide, 2-cyano-3-(phenylamino)- (CAS 100781-94-0), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 3-anilino-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 2-Propenethioamide, 2-cyano-3-(phenylamino)-
Property Insights of 2-Propenethioamide, 2-cyano-3-(phenylamino)-
The XLogP value of 1.79208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 2-cyano-3-(phenylamino)-. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenethioamide, 2-cyano-3-(phenylamino)-. Following Lipinski's Rule of Five, 2-Propenethioamide, 2-cyano-3-(phenylamino)- 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 2-Propenethioamide, 2-cyano-3-(phenylamino)-?
The CAS number of 2-Propenethioamide, 2-cyano-3-(phenylamino)- is 100781-94-0.
What is the molecular formula of 2-Propenethioamide, 2-cyano-3-(phenylamino)-?
The molecular formula of 2-Propenethioamide, 2-cyano-3-(phenylamino)- is C10H9N3S.
What is the molecular weight of 2-Propenethioamide, 2-cyano-3-(phenylamino)-?
The molecular weight of 2-Propenethioamide, 2-cyano-3-(phenylamino)- is 203.05 g/mol.
Where can I buy 2-Propenethioamide, 2-cyano-3-(phenylamino)-?
You can request a quote for 2-Propenethioamide, 2-cyano-3-(phenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethioamide, 2-cyano-3-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethioamide, 2-cyano-3-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.