Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester
TL;DR: Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester (CAS 19204-12-7) is a chemical compound with molecular formula C6H11NOS2 and molecular weight 177.02821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxopropyl N,N-dimethylcarbamodithioate
Also Known As: acetonyl dimethyldithiocarbamate, Dimethyldithiocarbamic acid acetonyl ester, CARBAMIC ACID, DIMETHYLDITHIO-, ACETONYL ESTER, 2-oxopropyl dimethylcarbamodithioate, 2-oxopropyl N,N-dimethylcarbamodithioate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11NOS2 |
| Molecular Weight | 177.02821 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.02821 Da |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
| SMILES | CC(=O)CSC(=S)N(C)C |
| InChIKey | OYUFLGHVVZZHLL-UHFFFAOYSA-N |
Chemical Property Profile of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester
Property Insights of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester 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
What is the CAS number of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester?
The CAS number of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester is 19204-12-7.
What is the molecular formula of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester?
The molecular formula of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester is C6H11NOS2.
What is the molecular weight of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester?
The molecular weight of Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester is 177.02821 g/mol.
Where can I buy Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester?
You can request a quote for Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamodithioic acid, N,N-dimethyl-, 2-oxopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.