1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea
TL;DR: 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea (CAS 92167-75-4) is a chemical compound with molecular formula C12H16ClN3S2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea
Also Known As: 1-(4-chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea, N-(4-Chlorophenyl)-N,N,N',N'-tetramethyl-2-imidodithiodicarbonic diamide
| Molecular Formula | C12H16ClN3S2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.04742 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 92167-75-4 |
|---|---|
| SMILES | CN(C)C(=S)N(C1=CC=C(C=C1)Cl)C(=S)N(C)C |
| InChIKey | KOLVIFZCRYDKFA-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea (CAS 92167-75-4), with molecular formula C12H16ClN3S2 and molecular weight 301.05 g/mol. IUPAC: 1-(4-chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea.
Chemical Property Profile of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea
Property Insights of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea has 0 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-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea?
The CAS number of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea is 92167-75-4.
What is the molecular formula of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea?
The molecular formula of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea is C12H16ClN3S2.
What is the molecular weight of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea?
The molecular weight of 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea is 301.05 g/mol.
Where can I buy 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea?
You can request a quote for 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-1-(dimethylcarbamothioyl)-3,3-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.