Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester

Base Information

• Chemical Name: Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester
• CAS No.: 178408-13-4
• Molecular Formula: C10H17 N O2 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00170479
• Wikidata: Q83040396
• Mol file: 178408-13-4.mol

Synonyms:178408-13-4;Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester;Ethyl (4,4-dimethyl-1,3-dioxopentyl)carbamodithioate;ethyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate;DTXSID00170479;ZNCDQJGYVKCPMX-UHFFFAOYSA-N;LS-50796

Chemical Property of Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, ethyl ester

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 107.05000
• Density: 1.147g/cm³
• LogP: 2.98620
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 247.07007113
• Heavy Atom Count: 15
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=S)NC(=O)CC(=O)C(C)(C)C