N-Hydroxy-N-methylbenzenecarbothioamide
TL;DR: N-Hydroxy-N-methylbenzenecarbothioamide (CAS 89861-45-0) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-hydroxy-N-methylbenzenecarbothioamide
Also Known As: N-Hydroxy-N-methylbenzenecarbothioamide, N-methylthiobenzhydroxamic acid, N-Methyl-N-hydroxythiobenzamide, N-Methylbenzohydroxamethioic acid, Benzenecarbothioamide, N-hydroxy-N-methyl-
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 89861-45-0 |
|---|---|
| SMILES | CN(C(=S)C1=CC=CC=C1)O |
| InChIKey | YUPPELVWCBEYPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Hydroxy-N-methylbenzenecarbothioamide (CAS 89861-45-0), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: N-hydroxy-N-methylbenzenecarbothioamide.
Chemical Property Profile of N-Hydroxy-N-methylbenzenecarbothioamide
Property Insights of N-Hydroxy-N-methylbenzenecarbothioamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Hydroxy-N-methylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 55.6 Ų, N-Hydroxy-N-methylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Hydroxy-N-methylbenzenecarbothioamide 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 N-Hydroxy-N-methylbenzenecarbothioamide?
The CAS number of N-Hydroxy-N-methylbenzenecarbothioamide is 89861-45-0.
What is the molecular formula of N-Hydroxy-N-methylbenzenecarbothioamide?
The molecular formula of N-Hydroxy-N-methylbenzenecarbothioamide is C8H9NOS.
What is the molecular weight of N-Hydroxy-N-methylbenzenecarbothioamide?
The molecular weight of N-Hydroxy-N-methylbenzenecarbothioamide is 167.04 g/mol.
Where can I buy N-Hydroxy-N-methylbenzenecarbothioamide?
You can request a quote for N-Hydroxy-N-methylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hydroxy-N-methylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Hydroxy-N-methylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.