4-<2-Chlor-benzyl>-thiosemicarbazid
TL;DR: 4-<2-Chlor-benzyl>-thiosemicarbazid (CAS 6610-35-1) is a chemical compound with molecular formula C17H23N3OS2 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
Also Known As: 4-<2-Chlor-benzyl>-thiosemicarbazid, [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate, 2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate, 2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl 4-methyl-1-piperazinecarbodithioate, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazine-1-carbothioyl)sulfanyl-ethanone
| Molecular Formula | C17H23N3OS2 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.12827 |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 6610-35-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCC(=O)N2CCCC3=CC=CC=C32 |
| InChIKey | MSPDKYOAGHWTOI-UHFFFAOYSA-N |
Product Overview
4-<2-Chlor-benzyl>-thiosemicarbazid (CAS 6610-35-1), with molecular formula C17H23N3OS2 and molecular weight 349.13 g/mol. IUPAC: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of 4-<2-Chlor-benzyl>-thiosemicarbazid
Property Insights of 4-<2-Chlor-benzyl>-thiosemicarbazid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-<2-Chlor-benzyl>-thiosemicarbazid. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-<2-Chlor-benzyl>-thiosemicarbazid. Following Lipinski's Rule of Five, 4-<2-Chlor-benzyl>-thiosemicarbazid has 0 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-<2-Chlor-benzyl>-thiosemicarbazid?
The CAS number of 4-<2-Chlor-benzyl>-thiosemicarbazid is 6610-35-1.
What is the molecular formula of 4-<2-Chlor-benzyl>-thiosemicarbazid?
The molecular formula of 4-<2-Chlor-benzyl>-thiosemicarbazid is C17H23N3OS2.
What is the molecular weight of 4-<2-Chlor-benzyl>-thiosemicarbazid?
The molecular weight of 4-<2-Chlor-benzyl>-thiosemicarbazid is 349.13 g/mol.
Where can I buy 4-<2-Chlor-benzyl>-thiosemicarbazid?
You can request a quote for 4-<2-Chlor-benzyl>-thiosemicarbazid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-<2-Chlor-benzyl>-thiosemicarbazid?
Yes, KEHONG BIO provides custom synthesis services for 4-<2-Chlor-benzyl>-thiosemicarbazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.