4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide
TL;DR: 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide (CAS 70619-50-0) is a chemical compound with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(aminocarbamothioylamino)benzoate
Also Known As: 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide, ethyl 4-(aminocarbamothioylamino)benzoate, Maybridge1_005267, ethyl 4-[(aminocarbamothioyl)amino]benzoate, 4- -3-THIOSEMICARBAZIDE
| Molecular Formula | C10H13N3O2S |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.0234 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.07285 |
| Heavy Atoms | 16 |
| Complexity | 378.15546 |
Chemical Identifiers
| CAS Number | 70619-50-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NN |
Product Overview
4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide (CAS 70619-50-0), with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol. IUPAC: ethyl 4-(aminocarbamothioylamino)benzoate.
Chemical Property Profile of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide
Property Insights of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide
The XLogP value of 1.0234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide. Following Lipinski's Rule of Five, 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 4 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-Ethoxycarbonylphenyl)-3-thiosemicarbazide?
The CAS number of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide is 70619-50-0.
What is the molecular formula of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide?
The molecular formula of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide is C10H13N3O2S.
What is the molecular weight of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide?
The molecular weight of 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide is 239.07 g/mol.
Where can I buy 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide?
You can request a quote for 4-(4-Ethoxycarbonylphenyl)-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-Ethoxycarbonylphenyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethoxycarbonylphenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.