Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-
TL;DR: Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- (CAS 76790-54-0) is a chemical compound with molecular formula C12H18N2O2S2 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(2-methylphenyl)sulfonylthiourea
Also Known As: 1-butyl-3-(2-methylphenyl)sulfonylthiourea, Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-, N-((Butylamino)thioxomethyl)-2-methylbenzenesulfonamide, 4-11-00-00231 (Beilstein Handbook Reference), N-(Butylcarbamothioyl)-2-methylbenzene-1-sulfonamide
| Molecular Formula | C12H18N2O2S2 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 1.94792 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.08096 |
| Heavy Atoms | 18 |
| Complexity | 512.5636 |
Chemical Identifiers
| CAS Number | 76790-54-0 |
|---|---|
| SMILES | CCCCNC(=S)NS(=O)(=O)C1=CC=CC=C1C |
Product Overview
Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- (CAS 76790-54-0), with molecular formula C12H18N2O2S2 and molecular weight 286.08 g/mol. IUPAC: 1-butyl-3-(2-methylphenyl)sulfonylthiourea.
Chemical Property Profile of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-
Property Insights of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-
The XLogP value of 1.94792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-. With a topological polar surface area (TPSA) of 58.2 Ų, Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- has 2 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 Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-?
The CAS number of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- is 76790-54-0.
What is the molecular formula of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-?
The molecular formula of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- is C12H18N2O2S2.
What is the molecular weight of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-?
The molecular weight of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- is 286.08 g/mol.
Where can I buy Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-?
You can request a quote for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.