Semicarbazide, 2-(o-chlorophenethyl)-3-thio-
TL;DR: Semicarbazide, 2-(o-chlorophenethyl)-3-thio- (CAS 2598-75-6) is a chemical compound with molecular formula C9H12ClN3S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-1-[2-(2-chlorophenyl)ethyl]thiourea
Also Known As: WL 34, Semicarbazide, 2-(o-chlorophenethyl)-3-thio-, 2-(o-Chlorophenethyl)-3-thiosemicarbazide, 1-amino-1-[2-(2-chlorophenyl)ethyl]thiourea, 2-(2-Chlorophenethyl)thiosemicarbazide
| Molecular Formula | C9H12ClN3S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 1.3018 |
| Topological Polar Surface Area | 55.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.04405 |
| Heavy Atoms | 14 |
| Complexity | 329.58804 |
Chemical Identifiers
| CAS Number | 2598-75-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCN(C(=S)N)N)Cl |
Product Overview
Semicarbazide, 2-(o-chlorophenethyl)-3-thio- (CAS 2598-75-6), with molecular formula C9H12ClN3S and molecular weight 229.04 g/mol. IUPAC: 1-amino-1-[2-(2-chlorophenyl)ethyl]thiourea.
Chemical Property Profile of Semicarbazide, 2-(o-chlorophenethyl)-3-thio-
Property Insights of Semicarbazide, 2-(o-chlorophenethyl)-3-thio-
The XLogP value of 1.3018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semicarbazide, 2-(o-chlorophenethyl)-3-thio-. With a topological polar surface area (TPSA) of 55.28 Ų, Semicarbazide, 2-(o-chlorophenethyl)-3-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Semicarbazide, 2-(o-chlorophenethyl)-3-thio- has 2 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 Semicarbazide, 2-(o-chlorophenethyl)-3-thio-?
The CAS number of Semicarbazide, 2-(o-chlorophenethyl)-3-thio- is 2598-75-6.
What is the molecular formula of Semicarbazide, 2-(o-chlorophenethyl)-3-thio-?
The molecular formula of Semicarbazide, 2-(o-chlorophenethyl)-3-thio- is C9H12ClN3S.
What is the molecular weight of Semicarbazide, 2-(o-chlorophenethyl)-3-thio-?
The molecular weight of Semicarbazide, 2-(o-chlorophenethyl)-3-thio- is 229.04 g/mol.
Where can I buy Semicarbazide, 2-(o-chlorophenethyl)-3-thio-?
You can request a quote for Semicarbazide, 2-(o-chlorophenethyl)-3-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Semicarbazide, 2-(o-chlorophenethyl)-3-thio-?
Yes, KEHONG BIO provides custom synthesis services for Semicarbazide, 2-(o-chlorophenethyl)-3-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.