3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea
TL;DR: 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea (CAS 2212-17-1) is a chemical compound with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,1-dimethylthiourea
Also Known As: N'-(4-Chlorophenyl)-N,N-dimethylthiourea, Maybridge1_006951, 1-(4-chlorophenyl)-3,3-dimethylthiourea, 3-(4-chlorophenyl)-1,1-dimethylthiourea, NCIOpen2_002670
| Molecular Formula | C9H11ClN2S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 2.5984 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.03314 |
| Heavy Atoms | 13 |
| Complexity | 294.98795 |
Chemical Identifiers
| CAS Number | 2212-17-1 |
|---|---|
| SMILES | CN(C)C(=S)NC1=CC=C(C=C1)Cl |
Product Overview
3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea (CAS 2212-17-1), with molecular formula C9H11ClN2S and molecular weight 214.03 g/mol. IUPAC: 3-(4-chlorophenyl)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea
Property Insights of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea
The XLogP value of 2.5984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea. With a topological polar surface area (TPSA) of 15.27 Ų, 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea 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 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea?
The CAS number of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea is 2212-17-1.
What is the molecular formula of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea?
The molecular formula of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea is C9H11ClN2S.
What is the molecular weight of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea?
The molecular weight of 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea is 214.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea?
You can request a quote for 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1,1-dimethyl-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.