N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide
TL;DR: N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide (CAS 405067-79-0) 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-(4-chlorophenyl)-3-(dimethylamino)thiourea
Also Known As: 1-(4-chlorophenyl)-3-(dimethylamino)thiourea, N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide, AN-689/41741151, [(dimethylamino)amino][(4-chlorophenyl)amino]methane-1-thione
| Molecular Formula | C9H12ClN3S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 2.103 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04405 |
| Heavy Atoms | 14 |
| Complexity | 310.33804 |
Chemical Identifiers
| CAS Number | 405067-79-0 |
|---|---|
| SMILES | CN(C)NC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide (CAS 405067-79-0), with molecular formula C9H12ClN3S and molecular weight 229.04 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(dimethylamino)thiourea.
Chemical Property Profile of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide
Property Insights of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide
The XLogP value of 2.103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide. With a topological polar surface area (TPSA) of 27.3 Ų, N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide 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 N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide?
The CAS number of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide is 405067-79-0.
What is the molecular formula of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide?
The molecular formula of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide is C9H12ClN3S.
What is the molecular weight of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide?
The molecular weight of N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide is 229.04 g/mol.
Where can I buy N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide?
You can request a quote for N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-2,2-dimethylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.