methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate
TL;DR: methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate (CAS 13068-61-6) is a chemical compound with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate
Also Known As: methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate, N-[(methylsulfanyl)(2-phenylhydrazino)methylene]benzenesulfonamide
| Molecular Formula | C14H15N3O2S2 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 2.711 |
| Topological Polar Surface Area | 70.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.06058 |
| Heavy Atoms | 21 |
| Complexity | 701.5137 |
Chemical Identifiers
| CAS Number | 13068-61-6 |
|---|---|
| SMILES | CSC(=NS(=O)(=O)C1=CC=CC=C1)NNC2=CC=CC=C2 |
Product Overview
methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate (CAS 13068-61-6), with molecular formula C14H15N3O2S2 and molecular weight 321.06 g/mol. IUPAC: methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate.
Chemical Property Profile of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate
Property Insights of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate
The XLogP value of 2.711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate. The TPSA of 70.56 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate. Following Lipinski's Rule of Five, methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate has 2 hydrogen bond donor(s) and 4 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-anilino-N'-(benzenesulfonyl)carbamimidothioate?
The CAS number of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate is 13068-61-6.
What is the molecular formula of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate?
The molecular formula of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate is C14H15N3O2S2.
What is the molecular weight of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate?
The molecular weight of methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate is 321.06 g/mol.
Where can I buy methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate?
You can request a quote for methyl N-anilino-N'-(benzenesulfonyl)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-anilino-N'-(benzenesulfonyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-anilino-N'-(benzenesulfonyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.