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

Base Information

• Chemical Name: Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, phenylmethyl ester
• CAS No.: 178408-12-3
• Molecular Formula: C15H19 N O2 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40170478
• Wikidata: Q83040395
• Mol file: 178408-12-3.mol

Synonyms:178408-12-3;Carbamodithioic acid, (4,4-dimethyl-1,3-dioxopentyl)-, phenylmethyl ester;tert-Butyl ester of N-para-benzyldithioformylmalonamide;benzyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate;Phenylmethyl (4,4-dimethyl-1,3-dioxopentyl)carbamodithioate;DTXSID40170478;XMAZPOZDXQGUAZ-UHFFFAOYSA-N;LS-50797

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 107.05000
• Density: 1.19g/cm³
• LogP: 4.16650
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 309.08572120
• Heavy Atom Count: 20
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)CC(=O)NC(=S)SCC1=CC=CC=C1

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