N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide
TL;DR: N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide (CAS 680215-20-7) is a chemical compound with molecular formula C18H20ClN3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chloro-1-phenylbutylidene)amino]-3-(4-methylphenyl)thiourea
Also Known As: 4-Chlorocinnamonitrile, N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide, 1-[(4-chloro-1-phenylbutylidene)amino]-3-(4-methylphenyl)thiourea
| Molecular Formula | C18H20ClN3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.70472 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.10666 |
| Heavy Atoms | 23 |
| Complexity | 653.72675 |
Chemical Identifiers
| CAS Number | 680215-20-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NN=C(CCCCl)C2=CC=CC=C2 |
Product Overview
N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide (CAS 680215-20-7), with molecular formula C18H20ClN3S and molecular weight 345.11 g/mol. IUPAC: 1-[(4-chloro-1-phenylbutylidene)amino]-3-(4-methylphenyl)thiourea.
Chemical Property Profile of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide
Property Insights of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide
The XLogP value of 4.70472 indicates that N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.42 Ų, N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)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 N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide?
The CAS number of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide is 680215-20-7.
What is the molecular formula of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide?
The molecular formula of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide is C18H20ClN3S.
What is the molecular weight of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide?
The molecular weight of N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide is 345.11 g/mol.
Where can I buy N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide?
You can request a quote for N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)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 N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(4-methylphenyl)-2-(4-chloro-1-phenylbutylidene)hydrazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.