1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea
TL;DR: 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea (CAS 722476-01-9) is a chemical compound with molecular formula C14H14ClN3S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloroanilino)-3-(3-methylphenyl)thiourea
Also Known As: 1-(3-chloroanilino)-3-(3-methylphenyl)thiourea, 2-(3-Chlorophenyl)-N-(3-methylphenyl)hydrazine-1-carbothioamide
| Molecular Formula | C14H14ClN3S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 3.96192 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0597 |
| Heavy Atoms | 19 |
| Complexity | 586.4087 |
Chemical Identifiers
| CAS Number | 722476-01-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NNC2=CC(=CC=C2)Cl |
Product Overview
1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea (CAS 722476-01-9), with molecular formula C14H14ClN3S and molecular weight 291.06 g/mol. IUPAC: 1-(3-chloroanilino)-3-(3-methylphenyl)thiourea.
Chemical Property Profile of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea
Property Insights of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea
The XLogP value of 3.96192 indicates that 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.09 Ų, 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea has 3 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 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea?
The CAS number of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea is 722476-01-9.
What is the molecular formula of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea?
The molecular formula of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea is C14H14ClN3S.
What is the molecular weight of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea?
The molecular weight of 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea is 291.06 g/mol.
Where can I buy 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea?
You can request a quote for 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloroanilino)-3-(3-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.