N-Benzoyl-S-methylisothiourea
TL;DR: N-Benzoyl-S-methylisothiourea (CAS 25508-17-2) is a chemical compound with molecular formula C9H10N2OS and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-benzoylcarbamimidothioate
Also Known As: N-benzoyl-S-methyl-isothiourea, N-Benzoyl-S-methylisothiourea, Methyl benzoylcarbamimidothioate, methyl N'-benzoylcarbamimidothioate, N-Benzoylcarbamimidothioic acid, methyl ester
| Molecular Formula | C9H10N2OS |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05139 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 25508-17-2 |
|---|---|
| SMILES | CSC(=NC(=O)C1=CC=CC=C1)N |
| InChIKey | WIKMCIXLAMJFBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzoyl-S-methylisothiourea (CAS 25508-17-2), with molecular formula C9H10N2OS and molecular weight 194.05 g/mol. IUPAC: methyl N'-benzoylcarbamimidothioate.
Chemical Property Profile of N-Benzoyl-S-methylisothiourea
Property Insights of N-Benzoyl-S-methylisothiourea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoyl-S-methylisothiourea. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzoyl-S-methylisothiourea. Following Lipinski's Rule of Five, N-Benzoyl-S-methylisothiourea 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-Benzoyl-S-methylisothiourea?
The CAS number of N-Benzoyl-S-methylisothiourea is 25508-17-2.
What is the molecular formula of N-Benzoyl-S-methylisothiourea?
The molecular formula of N-Benzoyl-S-methylisothiourea is C9H10N2OS.
What is the molecular weight of N-Benzoyl-S-methylisothiourea?
The molecular weight of N-Benzoyl-S-methylisothiourea is 194.05 g/mol.
Where can I buy N-Benzoyl-S-methylisothiourea?
You can request a quote for N-Benzoyl-S-methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoyl-S-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-S-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.