RefChem:1080998
TL;DR: RefChem:1080998 (CAS 22324-16-9) is a chemical compound with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-benzyl-N-(4-methylphenyl)sulfonylcarbamimidothioate
Also Known As: Benzyl-1 methyl-2 p-toluenesulfonyl-3 isothiouree [French], Benzyl-1 methyl-2 p-toluenesulfonyl-3 isothiouree, Methyl N'-((4-methylphenyl)sulfonyl)-N-(phenylmethyl)carbamimidothioate, methyl n'-benzyl-n-[(4-methylphenyl)sulfonyl]carbamimidothioate, Carbamimidothioic acid, N'-((4-methylphenyl)sulfonyl)-N-(phenylmethyl)-, methyl ester
| Molecular Formula | C16H18N2O2S2 |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.08096 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 22324-16-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)SC |
| InChIKey | JNMOJFMWTDEKRP-UHFFFAOYSA-N |
Product Overview
RefChem:1080998 (CAS 22324-16-9), with molecular formula C16H18N2O2S2 and molecular weight 334.08 g/mol. IUPAC: methyl N'-benzyl-N-(4-methylphenyl)sulfonylcarbamimidothioate.
Chemical Property Profile of RefChem:1080998
Property Insights of RefChem:1080998
The XLogP value of 3.8 indicates that RefChem:1080998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1080998. Following Lipinski's Rule of Five, RefChem:1080998 has 1 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 RefChem:1080998?
The CAS number of RefChem:1080998 is 22324-16-9.
What is the molecular formula of RefChem:1080998?
The molecular formula of RefChem:1080998 is C16H18N2O2S2.
What is the molecular weight of RefChem:1080998?
The molecular weight of RefChem:1080998 is 334.08 g/mol.
Where can I buy RefChem:1080998?
You can request a quote for RefChem:1080998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1080998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1080998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.