N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea
TL;DR: N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea (CAS 14501-90-7) is a chemical compound with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-1,1-dimethylthiourea
Also Known As: 1,3,4-thiadiazolepropionic acid, N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea, 3-(3-chloro-4-methylphenyl)-1,1-dimethylthiourea, 3-(3-chloro-4-methyl-phenyl)-1,1-dimethyl-thiourea, Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-
| Molecular Formula | C10H13ClN2S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.90682 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.0488 |
| Heavy Atoms | 14 |
| Complexity | 349.97528 |
Chemical Identifiers
| CAS Number | 14501-90-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)N(C)C)Cl |
Product Overview
N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea (CAS 14501-90-7), with molecular formula C10H13ClN2S and molecular weight 228.05 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-1,1-dimethylthiourea.
Chemical Property Profile of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea
Property Insights of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea
The XLogP value of 2.90682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea. With a topological polar surface area (TPSA) of 15.27 Ų, N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea has 1 hydrogen bond donor(s) and 1 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'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea?
The CAS number of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea is 14501-90-7.
What is the molecular formula of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea?
The molecular formula of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea is C10H13ClN2S.
What is the molecular weight of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea?
The molecular weight of N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea is 228.05 g/mol.
Where can I buy N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea?
You can request a quote for N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-Chloro-4-methylphenyl)-N,N-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.