4-Dimethylcarbamoylthio-benzonitrile
TL;DR: 4-Dimethylcarbamoylthio-benzonitrile (CAS 19290-43-8) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-cyanophenyl) N,N-dimethylcarbamothioate
Also Known As: 4-dimethylcarbamoylthio-benzonitrile, S-(4-cyanophenyl) dimethylcarbamothioate, S-(p-Cyanophenyl) dimethylthiocarbamate, S-(4-Cyanophenyl) dimethylthiocarbamate, S-(4-Cyanophenyl) dimethylthiocarbamate #
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 19290-43-8 |
|---|---|
| SMILES | CN(C)C(=O)SC1=CC=C(C=C1)C#N |
| InChIKey | UTLHYCJQJLXLTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Dimethylcarbamoylthio-benzonitrile (CAS 19290-43-8), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: S-(4-cyanophenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of 4-Dimethylcarbamoylthio-benzonitrile
Property Insights of 4-Dimethylcarbamoylthio-benzonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Dimethylcarbamoylthio-benzonitrile. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Dimethylcarbamoylthio-benzonitrile. Following Lipinski's Rule of Five, 4-Dimethylcarbamoylthio-benzonitrile has 0 hydrogen bond donor(s) and 3 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 4-Dimethylcarbamoylthio-benzonitrile?
The CAS number of 4-Dimethylcarbamoylthio-benzonitrile is 19290-43-8.
What is the molecular formula of 4-Dimethylcarbamoylthio-benzonitrile?
The molecular formula of 4-Dimethylcarbamoylthio-benzonitrile is C10H10N2OS.
What is the molecular weight of 4-Dimethylcarbamoylthio-benzonitrile?
The molecular weight of 4-Dimethylcarbamoylthio-benzonitrile is 206.05 g/mol.
Where can I buy 4-Dimethylcarbamoylthio-benzonitrile?
You can request a quote for 4-Dimethylcarbamoylthio-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dimethylcarbamoylthio-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Dimethylcarbamoylthio-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.