Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester
TL;DR: Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester (CAS 159324-91-1) is a chemical compound with molecular formula C9H7Cl2N3S2 and molecular weight 290.94583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dichloro-6-cyano-2-pyridinyl) N,N-dimethylcarbamodithioate
Also Known As: Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester, 3,5-Dichloro-6-cyanopyridin-2-yl dimethyl-(dithiocarbamate), 3,5-Dichloro-6-cyanopyridin-2-yl dimethylcarbamodithioate, (3,5-dichloro-6-cyanopyridin-2-yl) N,N-dimethylcarbamodithioate
Technical Specifications
| Molecular Formula | C9H7Cl2N3S2 |
| Molecular Weight | 290.94583 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.94583 Da |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
| SMILES | CN(C)C(=S)SC1=C(C=C(C(=N1)C#N)Cl)Cl |
| InChIKey | DIGRVWWHGAINJN-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester
Property Insights of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester
The XLogP value of 3.4 indicates that Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester?
The CAS number of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester is 159324-91-1.
What is the molecular formula of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester?
The molecular formula of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester is C9H7Cl2N3S2.
What is the molecular weight of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester?
The molecular weight of Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester is 290.94583 g/mol.
Where can I buy Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester?
You can request a quote for Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, dimethyl-, 3,5-dichloro-6-cyano-2-pyridinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.