1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide
TL;DR: 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide (CAS 35870-25-8) is a chemical compound with molecular formula C9H8Cl3N3O2S and molecular weight 326.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiourea
Also Known As: [[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiourea|2-[(2,4,5-Trichlorophenoxy)acetyl]hydrazine-1-carbothioamide|1-(2-(2,4,5-TRICHLOROPHENOXY)ACETYL)-3-THIOSEMICARBAZIDE|668-221-0|RefChem:420928
| Molecular Formula | C9H8Cl3N3O2S |
|---|---|
| Molecular Weight | 326.94 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.94028 |
| Heavy Atoms | 18 |
| Complexity | 484.37082 |
Chemical Identifiers
| CAS Number | 35870-25-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)NNC(=S)N |
Product Overview
1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide (CAS 35870-25-8), with molecular formula C9H8Cl3N3O2S and molecular weight 326.94 g/mol. IUPAC: [[2-(2,4,5-trichlorophenoxy)acetyl]amino]thiourea.
Chemical Property Profile of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide
Property Insights of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-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 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide?
The CAS number of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide is 35870-25-8.
What is the molecular formula of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide?
The molecular formula of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide is C9H8Cl3N3O2S.
What is the molecular weight of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide?
The molecular weight of 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide is 326.94 g/mol.
Where can I buy 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide?
You can request a quote for 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(2,4,5-Trichlorophenoxy)acetyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.