![1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea structure](/static/products/497/497943-07-4.png)
1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
TL;DR: 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea (CAS 497943-07-4) is a chemical compound with molecular formula C19H18ClN5OS4 and molecular weight 495.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
Also Known As: 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea, 2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)-N-(p-tolyl)hydrazinecarbothioamide, 2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-N-(4-methylphenyl)hydrazinecarbothioamide, 2-{5-[(2-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}-N-({[(4-methylph enyl)amino]thioxomethyl}amino)acetamide
| Molecular Formula | C19H18ClN5OS4 |
|---|---|
| Molecular Weight | 495.01 g/mol |
| LogP | 4.90212 |
| Topological Polar Surface Area | 78.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.00827 |
| Heavy Atoms | 30 |
| Complexity | 1012.1692 |
Chemical Identifiers
| CAS Number | 497943-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3Cl |
Product Overview
1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea (CAS 497943-07-4), with molecular formula C19H18ClN5OS4 and molecular weight 495.01 g/mol. IUPAC: 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
Property Insights of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea
The XLogP value of 4.90212 indicates that 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea. Following Lipinski's Rule of Five, 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea has 3 hydrogen bond donor(s) and 7 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-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The CAS number of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is 497943-07-4.
What is the molecular formula of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The molecular formula of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is C19H18ClN5OS4.
What is the molecular weight of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
The molecular weight of 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea is 495.01 g/mol.
Where can I buy 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
You can request a quote for 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.