4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide
TL;DR: 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide (CAS 90794-67-5) is a chemical compound with molecular formula C10H11ClN2O2S2 and molecular weight 290.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-3-prop-2-enylthiourea
Also Known As: 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide, 1-(4-chlorophenyl)sulfonyl-3-prop-2-enylthiourea, [(4-chlorophenyl)sulfonyl][(prop-2-enylamino)thioxomethyl]amine
| Molecular Formula | C10H11ClN2O2S2 |
|---|---|
| Molecular Weight | 290.00 g/mol |
| LogP | 1.6788 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.99506 |
| Heavy Atoms | 17 |
| Complexity | 511.61237 |
Chemical Identifiers
| CAS Number | 90794-67-5 |
|---|---|
| SMILES | C=CCNC(=S)NS(=O)(=O)C1=CC=C(C=C1)Cl |
Product Overview
4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide (CAS 90794-67-5), with molecular formula C10H11ClN2O2S2 and molecular weight 290.00 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-3-prop-2-enylthiourea.
Chemical Property Profile of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide
Property Insights of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide
The XLogP value of 1.6788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 58.2 Ų, 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide 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 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide?
The CAS number of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide is 90794-67-5.
What is the molecular formula of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide is C10H11ClN2O2S2.
What is the molecular weight of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide is 290.00 g/mol.
Where can I buy 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(prop-2-en-1-ylcarbamothioyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.