methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate
TL;DR: methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate (CAS 21504-97-2) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate
Also Known As: DHBT, 1-Cyano-2-methyl-3-(3-methylphenyl)isothiourea, methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate, 1-CYANO-2-METHYL-3- ISOTHIOUREA, 1-cyano-2-methyl-3-(m-tolyl)isothiourea
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 21504-97-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=C(NC#N)SC |
| InChIKey | XUODJDOHCUSZJY-UHFFFAOYSA-N |
Product Overview
methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate (CAS 21504-97-2), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate.
Chemical Property Profile of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate
Property Insights of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate. Following Lipinski's Rule of Five, methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate 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 methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate?
The CAS number of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate is 21504-97-2.
What is the molecular formula of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate?
The molecular formula of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate is C10H11N3S.
What is the molecular weight of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate?
The molecular weight of methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate is 205.07 g/mol.
Where can I buy methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate?
You can request a quote for methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-cyano-N'-(3-methylphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.