Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-
TL;DR: Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- (CAS 68499-50-3) is a chemical compound with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(2,4-dimethylphenyl)sulfonylthiourea
Also Known As: Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-, N-((Butylamino)thioxomethyl)-2,4-dimethylbenzenesulfonamide, 1-butyl-3-(2,4-dimethylphenyl)sulfonylthiourea, N-(Butylcarbamothioyl)-2,4-dimethylbenzene-1-sulfonamide, BRN 2869373
| Molecular Formula | C13H20N2O2S2 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 2.25634 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.09662 |
| Heavy Atoms | 19 |
| Complexity | 553.76166 |
Chemical Identifiers
| CAS Number | 68499-50-3 |
|---|---|
| SMILES | CCCCNC(=S)NS(=O)(=O)C1=C(C=C(C=C1)C)C |
Product Overview
Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- (CAS 68499-50-3), with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol. IUPAC: 1-butyl-3-(2,4-dimethylphenyl)sulfonylthiourea.
Chemical Property Profile of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-
Property Insights of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-
The XLogP value of 2.25634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-. With a topological polar surface area (TPSA) of 58.2 Ų, Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- 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)-2,4-dimethyl-?
The CAS number of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- is 68499-50-3.
What is the molecular formula of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-?
The molecular formula of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- is C13H20N2O2S2.
What is the molecular weight of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-?
The molecular weight of Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- is 300.10 g/mol.
Where can I buy Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl-?
You can request a quote for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- 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)-2,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonamide, N-((butylamino)thioxomethyl)-2,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.