Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester
TL;DR: Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester (CAS 152382-30-4) is a chemical compound with molecular formula C11H12N2S2 and molecular weight 236.04419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2,6-dimethylphenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: [(2,6-dimethylphenyl)sulfanyl-methylsulfanylmethylidene]cyanamide|(2,6-dimethylphenyl) methylcyanocarbonimidodithioate|(2,6-dimethylphenyl)methylcyanocarbonimidodithioate|2,6-Dimethylphenyl methyl cyanocarbonodithioimidate|(2,6-Dimethylphenyl) methyl cyanocarbonimidodithioate|Methyl (2,6-dimethylphenyl) cyanocarbonimidodithioate|Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester|[[2,6-bis(chloranyl)phenyl]sulfanyl-methylsulfanyl-methylidene]cyanamide|MFCD06658046|DB-043147
Technical Specifications
| Molecular Formula | C11H12N2S2 |
| Molecular Weight | 236.04419 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.04419 Da |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
| SMILES | CC1=C(C(=CC=C1)C)SC(=NC#N)SC |
| InChIKey | RHEHLHMJKOWAAM-UHFFFAOYSA-N |
Chemical Property Profile of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester
Property Insights of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester
The XLogP value of 4.2 indicates that Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester. Following Lipinski's Rule of Five, Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl 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 Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester?
The CAS number of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester is 152382-30-4.
What is the molecular formula of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester?
The molecular formula of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester is C11H12N2S2.
What is the molecular weight of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester?
The molecular weight of Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester is 236.04419 g/mol.
Where can I buy Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester?
You can request a quote for Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester?
Yes, CoreyChem provides custom synthesis services for Carbonimidodithioic acid, cyano-, 2,6-dimethylphenyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.