2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide
TL;DR: 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide (CAS 5706-79-6) is a chemical compound with molecular formula C8H8ClN3S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3-chlorophenyl)methylideneamino]thiourea
Also Known As: 3-Chlorobenzaldehyde thiosemicarbazone, [(3-chlorophenyl)methylideneamino]thiourea, 3-Chlorobenzaldehyde thiocarbamoylhydrazone, 2-(3-chlorobenzylidene)hydrazine-1-carbothioamide, 2-[(3-Chlorophenyl)methylidene]hydrazine-1-carbothioamide
| Molecular Formula | C8H8ClN3S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.01274 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 5706-79-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C=NNC(=S)N |
| InChIKey | IPKPBBJJLUBSAV-UHFFFAOYSA-N |
Product Overview
2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide (CAS 5706-79-6), with molecular formula C8H8ClN3S and molecular weight 213.01 g/mol. IUPAC: [(3-chlorophenyl)methylideneamino]thiourea.
Chemical Property Profile of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide
Property Insights of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide. Following Lipinski's Rule of Five, 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide 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 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide?
The CAS number of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide is 5706-79-6.
What is the molecular formula of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide?
The molecular formula of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide is C8H8ClN3S.
What is the molecular weight of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide?
The molecular weight of 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide is 213.01 g/mol.
Where can I buy 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide?
You can request a quote for 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorobenzylidene)hydrazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.