Carbamodithioic acid, N-ethyl-, methyl ester
TL;DR: Carbamodithioic acid, N-ethyl-, methyl ester (CAS 13037-14-4) is a chemical compound with molecular formula C4H9NS2 and molecular weight 135.01764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-ethylcarbamodithioate
Also Known As: Methyl ethyldithiocarbamate, methyl N-ethylcarbamodithioate, Carbamodithioic acid, ethyl-, methyl ester, N-Aethyl-5-methyldithiocarbamat, METHYL-ETHANOL-DITHIOCARBAMATE
Technical Specifications
| Molecular Formula | C4H9NS2 |
| Molecular Weight | 135.01764 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.01764 Da |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
| SMILES | CCNC(=S)SC |
| InChIKey | PGUWOWZKJZKUGN-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, N-ethyl-, methyl ester
Property Insights of Carbamodithioic acid, N-ethyl-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, N-ethyl-, methyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, N-ethyl-, methyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, N-ethyl-, methyl ester has 1 hydrogen bond donor(s) and 2 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, N-ethyl-, methyl ester?
The CAS number of Carbamodithioic acid, N-ethyl-, methyl ester is 13037-14-4.
What is the molecular formula of Carbamodithioic acid, N-ethyl-, methyl ester?
The molecular formula of Carbamodithioic acid, N-ethyl-, methyl ester is C4H9NS2.
What is the molecular weight of Carbamodithioic acid, N-ethyl-, methyl ester?
The molecular weight of Carbamodithioic acid, N-ethyl-, methyl ester is 135.01764 g/mol.
Where can I buy Carbamodithioic acid, N-ethyl-, methyl ester?
You can request a quote for Carbamodithioic acid, N-ethyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, N-ethyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, N-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.