4-(2-Ethylphenyl)-3-thiosemicarbazide
TL;DR: 4-(2-Ethylphenyl)-3-thiosemicarbazide (CAS 16667-04-2) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2-ethylphenyl)thiourea
Also Known As: 4-(2-Ethylphenyl)-3-thiosemicarbazide, 3-amino-1-(2-ethylphenyl)thiourea, 1-amino-3-(2-ethylphenyl)thiourea, N-(2-ethylphenyl)hydrazinecarbothioamide, Hydroperoxide,2,2-diphenylethyl
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.4091 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 298.66623 |
Chemical Identifiers
| CAS Number | 16667-04-2 |
|---|---|
| SMILES | CCC1=CC=CC=C1NC(=S)NN |
Product Overview
4-(2-Ethylphenyl)-3-thiosemicarbazide (CAS 16667-04-2), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: 1-amino-3-(2-ethylphenyl)thiourea.
Chemical Property Profile of 4-(2-Ethylphenyl)-3-thiosemicarbazide
Property Insights of 4-(2-Ethylphenyl)-3-thiosemicarbazide
The XLogP value of 1.4091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Ethylphenyl)-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(2-Ethylphenyl)-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Ethylphenyl)-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 2 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-(2-Ethylphenyl)-3-thiosemicarbazide?
The CAS number of 4-(2-Ethylphenyl)-3-thiosemicarbazide is 16667-04-2.
What is the molecular formula of 4-(2-Ethylphenyl)-3-thiosemicarbazide?
The molecular formula of 4-(2-Ethylphenyl)-3-thiosemicarbazide is C9H13N3S.
What is the molecular weight of 4-(2-Ethylphenyl)-3-thiosemicarbazide?
The molecular weight of 4-(2-Ethylphenyl)-3-thiosemicarbazide is 195.08 g/mol.
Where can I buy 4-(2-Ethylphenyl)-3-thiosemicarbazide?
You can request a quote for 4-(2-Ethylphenyl)-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-(2-Ethylphenyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Ethylphenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.