1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid
• CAS No.: 34330-02-4
• Molecular Formula: C9H6 N2 O3 S
• Molecular Weight: 222.22054
• European Community (EC) Number: 251-941-0
• UNII: B3L8RM54QJ
• DSSTox Substance ID: DTXSID70187897
• Nikkaji Number: J287.903D
• Mol file: 34330-02-4.mol

Synonyms:34330-02-4;1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid;B3L8RM54QJ;4-Oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid;EINECS 251-941-0;C9H6N2O3S;4-oxo-2-sulfanylidene-1H-quinazoline-6-carboxylic acid;UNII-B3L8RM54QJ;SCHEMBL8983968;DTXSID70187897;6-Quinazolinecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-2-thioxo-;1,2,3,4-TETRAHYDRO-4-OXO-2-THIOXO-6-QUINAZOLINECARBOXYLIC ACID;4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid

Chemical Property of 1,2,3,4-Tetrahydro-4-oxo-2-thioxoquinazoline-6-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.5E-12mmHg at 25°C
• Boiling Point: 530.3°Cat760mmHg
• Flash Point: 274.5°C
• PSA: 122.11000
• Density: 1.68g/cm³
• LogP: 1.32230
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 222.00991323
• Heavy Atom Count: 15
• Complexity: 331

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)NC(=S)N2