Carbamodithioic acid, diethyl-, 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester

Base Information

• Chemical Name: Carbamodithioic acid, diethyl-, 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
• CAS No.: 180301-44-4
• Molecular Formula: C15H23N5O2S2
• Molecular Weight: 369.5054
• DSSTox Substance ID: DTXSID60170950
• Wikidata: Q83040969

Synonyms:7-(3-(N,N-Diethyldithiocarbamoyl)propyl)-1,3-dimethylxanthine;180301-44-4;Carbamodithioic acid, diethyl-, 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester;DTXSID60170950;C15H23N5O2S2;LS-50792

Chemical Property of Carbamodithioic acid, diethyl-, 3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester

Chemical Property:

• Vapor Pressure: 1.12E-12mmHg at 25°C
• Boiling Point: 562.4°C at 760 mmHg
• Flash Point: 294°C
• Density: 1.32g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 369.12931734
• Heavy Atom Count: 24
• Complexity: 500

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)SCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

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