4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide
TL;DR: 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide (CAS 81386-44-9) is a chemical compound with molecular formula C13H12ClN3O2S2 and molecular weight 341.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonamido)-3-(4-chlorophenyl)thiourea
Also Known As: 1-(benzenesulfonamido)-3-(4-chlorophenyl)thiourea, 4-(4-CHLOROPHENYL)-1-(PHENYLSULFONYL)-3-THIOSEMICARBAZIDE, 660-259-6, RefChem:514072
| Molecular Formula | C13H12ClN3O2S2 |
|---|---|
| Molecular Weight | 341.01 g/mol |
| LogP | 2.5199 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.00595 |
| Heavy Atoms | 21 |
| Complexity | 718.84143 |
Chemical Identifiers
| CAS Number | 81386-44-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide (CAS 81386-44-9), with molecular formula C13H12ClN3O2S2 and molecular weight 341.01 g/mol. IUPAC: 1-(benzenesulfonamido)-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide
Property Insights of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide
The XLogP value of 2.5199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide has 3 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-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide?
The CAS number of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide is 81386-44-9.
What is the molecular formula of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide?
The molecular formula of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide is C13H12ClN3O2S2.
What is the molecular weight of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide?
The molecular weight of 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide is 341.01 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide?
You can request a quote for 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1-(phenylsulfonyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.