2-Sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid

Base Information

• Chemical Name: 2-Sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
• CAS No.: 6972-13-0
• Molecular Formula: C5H4 N2 O2 S
• Molecular Weight: 156.16246
• NSC Number: 61554
• DSSTox Substance ID: DTXSID00393085
• Mol file: 6972-13-0.mol

Synonyms:6972-13-0;2-Sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid;2-sulfanylidene-1H-pyrimidine-6-carboxylic acid;2-Thioxo-2,3-dihydropyrimidine-4-carboxylic acid;2-sulfanylpyrimidine-4-carboxylic acid;NSC61554;2-thioxo-1,2-dihydropyrimidine-4-carboxylic acid;SCHEMBL2097646;DTXSID00393085;NSC-61554;AT29459;CS-0287554;EN300-2993213

Chemical Property of 2-Sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 304.4°C at 760 mmHg
• Flash Point: 137.9°C
• PSA: 98.07000
• Density: 1.6g/cm³
• LogP: 0.83740
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.99934855
• Heavy Atom Count: 10
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

2-Thioxo-2,3-dihydropyrimidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=S)N=C1)C(=O)O
• Uses: 2-Thioxo-2,3-dihydropyrimidine-4-carboxylic Acid is a reagent used in the preparation of S-containing 5- and 6-membered heterocyclic carboxylic acids tested for antitumor and antimetastatic activity against pulmonary metastases in mice implanted with Lewis lung carcinoma. ?Each compound was shown to decrease the number of metastatic nodules in tumor-bearing mice.