2-cyano-N-(4-methylphenyl)ethanethioamide
TL;DR: 2-cyano-N-(4-methylphenyl)ethanethioamide (CAS 6127-18-0) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(4-methylphenyl)ethanethioamide
Also Known As: 2-cyano-N-(4-methylphenyl)ethanethioamide, 2-cyano-N-p-tolyl-thioacetamide, Cyano-N-(4-methylphenyl)ethanethioamide, Ethanethioamide, 2-cyano-N-(4-methylphenyl)-, RefChem:259668
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.648 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 334.93753 |
Chemical Identifiers
| CAS Number | 6127-18-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)CC#N |
Product Overview
2-cyano-N-(4-methylphenyl)ethanethioamide (CAS 6127-18-0), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 2-cyano-N-(4-methylphenyl)ethanethioamide.
Chemical Property Profile of 2-cyano-N-(4-methylphenyl)ethanethioamide
Property Insights of 2-cyano-N-(4-methylphenyl)ethanethioamide
The XLogP value of 2.648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(4-methylphenyl)ethanethioamide. With a topological polar surface area (TPSA) of 35.82 Ų, 2-cyano-N-(4-methylphenyl)ethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyano-N-(4-methylphenyl)ethanethioamide 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 2-cyano-N-(4-methylphenyl)ethanethioamide?
The CAS number of 2-cyano-N-(4-methylphenyl)ethanethioamide is 6127-18-0.
What is the molecular formula of 2-cyano-N-(4-methylphenyl)ethanethioamide?
The molecular formula of 2-cyano-N-(4-methylphenyl)ethanethioamide is C10H10N2S.
What is the molecular weight of 2-cyano-N-(4-methylphenyl)ethanethioamide?
The molecular weight of 2-cyano-N-(4-methylphenyl)ethanethioamide is 190.06 g/mol.
Where can I buy 2-cyano-N-(4-methylphenyl)ethanethioamide?
You can request a quote for 2-cyano-N-(4-methylphenyl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(4-methylphenyl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(4-methylphenyl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.