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Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester
TL;DR: Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester (CAS 57774-66-0) is a chemical compound with molecular formula C11H13NO2S and molecular weight 223.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-methylbenzenecarbothioyl)carbamate
Also Known As: Ethyl N-(4-methylbenzenecarbothioyl)carbamate, N-Ethoxycarbonyl-4-methyl-thiobenzamide, N-ethoxycarbonyltoluene-4-thiocarboxamide, Ethyl (4-methylbenzene-1-carbothioyl)carbamate, Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester
| Molecular Formula | C11H13NO2S |
|---|---|
| Molecular Weight | 223.07 g/mol |
| LogP | 2.41662 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0667 |
| Heavy Atoms | 15 |
| Complexity | 359.3556 |
Chemical Identifiers
| CAS Number | 57774-66-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=CC=C(C=C1)C |
Product Overview
Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester (CAS 57774-66-0), with molecular formula C11H13NO2S and molecular weight 223.07 g/mol. IUPAC: ethyl N-(4-methylbenzenecarbothioyl)carbamate.
Chemical Property Profile of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester
Property Insights of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester
The XLogP value of 2.41662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester has 1 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 Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester?
The CAS number of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester is 57774-66-0.
What is the molecular formula of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester?
The molecular formula of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester is C11H13NO2S.
What is the molecular weight of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester?
The molecular weight of Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester is 223.07 g/mol.
Where can I buy Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester?
You can request a quote for Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, [(4-methylphenyl)thioxomethyl]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.