Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester
TL;DR: Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester (CAS 82846-54-6) is a chemical compound with molecular formula C9H17N3OS2 and molecular weight 247.0813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-nitrosopyrrolidin-2-yl) N,N-diethylcarbamodithioate
Also Known As: Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester, N,N-diethyl-1- sulfanyl-methanethioamide, 1-nitrosopyrrolidin-2-yl diethylcarbamodithioate, (1-nitrosopyrrolidin-2-yl) N,N-diethylcarbamodithioate, CARBAMIC ACID, DIETHYLDITHIO-, 1-NITROSO-2-PYRROLIDINYL ESTER
Technical Specifications
| Molecular Formula | C9H17N3OS2 |
| Molecular Weight | 247.0813 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0813 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CCN(CC)C(=S)SC1CCCN1N=O |
| InChIKey | DCEAHLIVXZOPKQ-UHFFFAOYSA-N |
Chemical Property Profile of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester
Property Insights of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester. Following Lipinski's Rule of Five, Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester?
The CAS number of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester is 82846-54-6.
What is the molecular formula of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester?
The molecular formula of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester is C9H17N3OS2.
What is the molecular weight of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester?
The molecular weight of Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester is 247.0813 g/mol.
Where can I buy Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester?
You can request a quote for Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester?
Yes, CoreyChem provides custom synthesis services for Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.