1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea
TL;DR: 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea (CAS 333405-54-2) is a chemical compound with molecular formula C12H12ClN3OS2 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea
Also Known As: AB00105647-01, 1-(4-chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea, 1-(4-chlorophenyl)-3-(3,4-dimethyl-2-thioxo-2,3-dihydrothiazol-5-yl)urea, 1-(4-chlorophenyl)-3-(3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)urea
| Molecular Formula | C12H12ClN3OS2 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.01102 |
| Heavy Atoms | 19 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 333405-54-2 |
|---|---|
| SMILES | CC1=C(SC(=S)N1C)NC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | UYJPGKVIZRICMW-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea (CAS 333405-54-2), with molecular formula C12H12ClN3OS2 and molecular weight 313.01 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea.
Chemical Property Profile of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea
Property Insights of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea 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 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea?
The CAS number of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea is 333405-54-2.
What is the molecular formula of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea?
The molecular formula of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea is C12H12ClN3OS2.
What is the molecular weight of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea?
The molecular weight of 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea is 313.01 g/mol.
Where can I buy 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea?
You can request a quote for 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-3-(3,4-dimethyl-2-sulfanylidene-1,3-thiazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.