(E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide
TL;DR: (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide (CAS 97651-32-6) is a chemical compound with molecular formula C11H10N2S and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide
Also Known As: p-tolylmethylenecyanothioacetamide, 4-Methyl-alpha-cyanocinnamthioamide, J1.629.743G, (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide, (2E)-2-CYANO-3-(4-METHYLPHENYL)PROP-2-ENETHIOAMIDE
| Molecular Formula | C11H10N2S |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.1881 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05647 |
| Heavy Atoms | 14 |
| Complexity | 409.9088 |
Chemical Identifiers
| CAS Number | 97651-32-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C#N)/C(=S)N |
Product Overview
(E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide (CAS 97651-32-6), with molecular formula C11H10N2S and molecular weight 202.06 g/mol. IUPAC: (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide.
Chemical Property Profile of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide
Property Insights of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide
The XLogP value of 2.1881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide. With a topological polar surface area (TPSA) of 49.81 Ų, (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide has 1 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 (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide?
The CAS number of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide is 97651-32-6.
What is the molecular formula of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide?
The molecular formula of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide is C11H10N2S.
What is the molecular weight of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide?
The molecular weight of (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide is 202.06 g/mol.
Where can I buy (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide?
You can request a quote for (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-(4-methylphenyl)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.