methyl N'-(benzylideneamino)carbamimidothioate
TL;DR: methyl N'-(benzylideneamino)carbamimidothioate (CAS 7410-58-4) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-(benzylideneamino)carbamimidothioate
Also Known As: methyl N'-(benzylideneamino)carbamimidothioate, Methyl N'-benzylidenecarbamohydrazonothioate, Hydrazinecarboximidothioic acid, (phenylmethylene)-, methyl ester
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 7410-58-4 |
|---|---|
| SMILES | CSC(=NN=CC1=CC=CC=C1)N |
| InChIKey | IMCIZVRRAOVAGB-UHFFFAOYSA-N |
Product Overview
methyl N'-(benzylideneamino)carbamimidothioate (CAS 7410-58-4), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: methyl N'-(benzylideneamino)carbamimidothioate.
Chemical Property Profile of methyl N'-(benzylideneamino)carbamimidothioate
Property Insights of methyl N'-(benzylideneamino)carbamimidothioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-(benzylideneamino)carbamimidothioate. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-(benzylideneamino)carbamimidothioate. Following Lipinski's Rule of Five, methyl N'-(benzylideneamino)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'-(benzylideneamino)carbamimidothioate?
The CAS number of methyl N'-(benzylideneamino)carbamimidothioate is 7410-58-4.
What is the molecular formula of methyl N'-(benzylideneamino)carbamimidothioate?
The molecular formula of methyl N'-(benzylideneamino)carbamimidothioate is C9H11N3S.
What is the molecular weight of methyl N'-(benzylideneamino)carbamimidothioate?
The molecular weight of methyl N'-(benzylideneamino)carbamimidothioate is 193.07 g/mol.
Where can I buy methyl N'-(benzylideneamino)carbamimidothioate?
You can request a quote for methyl N'-(benzylideneamino)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'-(benzylideneamino)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-(benzylideneamino)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.