Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester
TL;DR: Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester (CAS 178408-13-4) is a chemical compound with molecular formula C10H17NO2S2 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate
Also Known As: Ethyl (4,4-dimethyl-1,3-dioxopentyl)carbamodithioate, Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester, ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate, Ethyl (4,4-dimethyl-3-oxopentanoyl)carbamodithioate, N-ethylsulfanylcarbothioyl-4,4-dimethyl-3-oxo-pentanamide
| Molecular Formula | C10H17NO2S2 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.1459 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07007 |
| Heavy Atoms | 15 |
| Complexity | 269.08618 |
Chemical Identifiers
| CAS Number | 178408-13-4 |
|---|---|
| SMILES | CCSC(=S)NC(=O)CC(=O)C(C)(C)C |
Product Overview
Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester (CAS 178408-13-4), with molecular formula C10H17NO2S2 and molecular weight 247.07 g/mol. IUPAC: ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester
Property Insights of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester
The XLogP value of 2.1459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester. With a topological polar surface area (TPSA) of 46.17 Ų, Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl 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, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester?
The CAS number of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester is 178408-13-4.
What is the molecular formula of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester?
The molecular formula of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester is C10H17NO2S2.
What is the molecular weight of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester?
The molecular weight of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester is 247.07 g/mol.
Where can I buy Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester?
You can request a quote for Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl 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, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.