![4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide structure](/static/products/7019/701948-20-1.webp)
4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide
TL;DR: 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide (CAS 701948-20-1) is a chemical compound with molecular formula C15H15N3O4S2 and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea
Also Known As: 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide, 1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea, 4-(3-(Benzo[d][1,3]dioxol-5-yl)thioureido)-N-methylbenzenesulfonamide, 4-[(1,3-benzodioxol-5-ylcarbamothioyl)amino]-N-methylbenzenesulfonamide, [(4-{[(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)thioxomethyl]amino}phenyl)sulfony l]methylamine
| Molecular Formula | C15H15N3O4S2 |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 2.1323 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.05038 |
| Heavy Atoms | 24 |
| Complexity | 866.78796 |
Chemical Identifiers
| CAS Number | 701948-20-1 |
|---|---|
| SMILES | CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3 |
Product Overview
4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide (CAS 701948-20-1), with molecular formula C15H15N3O4S2 and molecular weight 365.05 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]thiourea.
Chemical Property Profile of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide
Property Insights of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide
The XLogP value of 2.1323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide. Following Lipinski's Rule of Five, 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide has 3 hydrogen bond donor(s) and 5 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 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide?
The CAS number of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide is 701948-20-1.
What is the molecular formula of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide?
The molecular formula of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide is C15H15N3O4S2.
What is the molecular weight of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide?
The molecular weight of 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide is 365.05 g/mol.
Where can I buy 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide?
You can request a quote for 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-N-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.