Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester
TL;DR: Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester (CAS 69378-47-8) is a chemical compound with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxobutyl) N-pyridin-2-ylcarbamodithioate
Also Known As: 3,3-Dimethyl-2-oxobutyl 2-pyridinylcarbamodithioate, Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester, Pyridyl-2 dithiocarbamate de dimethyl-3,3 oxo-2-butyle, Pyridyl-2 dithiocarbamate de dimethyl-3,3 oxo-2-butyle [French], (3,3-dimethyl-2-oxobutyl) N-pyridin-2-ylcarbamodithioate
| Molecular Formula | C12H16N2OS2 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.1268 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0704 |
| Heavy Atoms | 17 |
| Complexity | 398.7167 |
Chemical Identifiers
| CAS Number | 69378-47-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC(=S)NC1=CC=CC=N1 |
Product Overview
Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester (CAS 69378-47-8), with molecular formula C12H16N2OS2 and molecular weight 268.07 g/mol. IUPAC: (3,3-dimethyl-2-oxobutyl) N-pyridin-2-ylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester
Property Insights of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester
The XLogP value of 3.1268 indicates that Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester has 1 hydrogen bond donor(s) and 4 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 Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester?
The CAS number of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester is 69378-47-8.
What is the molecular formula of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester?
The molecular formula of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester is C12H16N2OS2.
What is the molecular weight of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester?
The molecular weight of Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester is 268.07 g/mol.
Where can I buy Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester?
You can request a quote for Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, 2-pyridinyl-, 3,3-dimethyl-2-oxobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.