Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester
TL;DR: Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester (CAS 19962-05-1) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-(3-hydroxyphenyl)carbamothioate
Also Known As: starbld0031726, S-Methyl m-hydroxythiocarbanilate, CARBANILIC ACID, m-HYDROXYTHIO-, S-METHYL ESTER, S-methyl N-(3-hydroxyphenyl)carbamothioate, m-Hydroxythiocarbanilic acid S-methyl ester
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 19962-05-1 |
|---|---|
| SMILES | CSC(=O)NC1=CC(=CC=C1)O |
| InChIKey | FZMQIVKTRXXFDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester (CAS 19962-05-1), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: S-methyl N-(3-hydroxyphenyl)carbamothioate.
Chemical Property Profile of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester
Property Insights of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester. Following Lipinski's Rule of Five, Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester 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 Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester?
The CAS number of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester is 19962-05-1.
What is the molecular formula of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester?
The molecular formula of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester is C8H9NO2S.
What is the molecular weight of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester?
The molecular weight of Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester is 183.04 g/mol.
Where can I buy Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester?
You can request a quote for Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (3-hydroxyphenyl)-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.