methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate
TL;DR: methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate (CAS 59338-42-0) is a chemical compound with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate
Also Known As: methyl N-(1,5-dimethylpyridin-2-ylidene)carbamodithioate, Carbamodithioic acid, (1,5-dimethyl-2(1H)-pyridinylidene)-, methyl ester (9CI)
| Molecular Formula | C9H12N2S2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.04419 |
| Heavy Atoms | 13 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 59338-42-0 |
|---|---|
| SMILES | CC1=CN(C(=NC(=S)SC)C=C1)C |
| InChIKey | SZHWAZAGTFHRLB-UHFFFAOYSA-N |
Product Overview
methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate (CAS 59338-42-0), with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol. IUPAC: methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate.
Chemical Property Profile of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate
Property Insights of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate. Following Lipinski's Rule of Five, methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate 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 methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate?
The CAS number of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate is 59338-42-0.
What is the molecular formula of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate?
The molecular formula of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate is C9H12N2S2.
What is the molecular weight of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate?
The molecular weight of methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate is 212.04 g/mol.
Where can I buy methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate?
You can request a quote for methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(1,5-dimethyl-2-pyridinylidene)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.