3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
TL;DR: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CAS 573940-95-1) is a chemical compound with molecular formula C18H17Cl2N3O2S2 and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
Also Known As: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide, 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[(2Z)-5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2(3H)-ylidene]cyclopropanecarboxamide, 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}cyclopropanecarboxamide, 3-(2,2-dichlorovinyl)-2,2-dimethyl-N-(5-((2-oxo-2-phenylethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
| Molecular Formula | C18H17Cl2N3O2S2 |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.0428 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.01392 |
| Heavy Atoms | 27 |
| Complexity | 879.7417 |
Chemical Identifiers
| CAS Number | 573940-95-1 |
|---|---|
| SMILES | CC1(C(C1C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)C=C(Cl)Cl)C |
Product Overview
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide (CAS 573940-95-1), with molecular formula C18H17Cl2N3O2S2 and molecular weight 441.01 g/mol. IUPAC: 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide.
Chemical Property Profile of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
Property Insights of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
The XLogP value of 5.0428 indicates that 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide. Following Lipinski's Rule of Five, 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The CAS number of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is 573940-95-1.
What is the molecular formula of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The molecular formula of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is C18H17Cl2N3O2S2.
What is the molecular weight of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
The molecular weight of 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide is 441.01 g/mol.
Where can I buy 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
You can request a quote for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.