4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate
TL;DR: 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate (CAS 413607-94-0) is a chemical compound with molecular formula C10H17NO2S3 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate
Also Known As: 4-methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate, (4-methyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate, 4-[(diethylamino)thioxomethylthio]-3-methyl-4,5-dihydrothiophene-1,1-dione, N,N-DIETHYL-1-[(4-METHYL-1,1-DIOXO-2,3-DIHYDRO-1??-THIOPHEN-3-YL)SULFANYL]METHANETHIOAMIDE
| Molecular Formula | C10H17NO2S3 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 2.0471 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.04214 |
| Heavy Atoms | 16 |
| Complexity | 396.2872 |
Chemical Identifiers
| CAS Number | 413607-94-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1CS(=O)(=O)C=C1C |
Product Overview
4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate (CAS 413607-94-0), with molecular formula C10H17NO2S3 and molecular weight 279.04 g/mol. IUPAC: (4-methyl-1,1-dioxo-2,3-dihydrothiophen-3-yl) N,N-diethylcarbamodithioate.
Chemical Property Profile of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate
Property Insights of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate
The XLogP value of 2.0471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate. With a topological polar surface area (TPSA) of 37.38 Ų, 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate 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
Frequently Asked Questions
What is the CAS number of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate?
The CAS number of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate is 413607-94-0.
What is the molecular formula of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate?
The molecular formula of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate is C10H17NO2S3.
What is the molecular weight of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate?
The molecular weight of 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate is 279.04 g/mol.
Where can I buy 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate?
You can request a quote for 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1,1-dioxido-2,3-dihydrothiophen-3-yl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.