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Home Other Building Blocks 6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one

CAS No.:
36822-11-4
Catalog Number:
AG0033DC
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
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Product Description
Catalog Number:
AG0033DC
Chemical Name:
6-Phenyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
CAS Number:
36822-11-4
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD00059166
IUPAC Name:
6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C10H8N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChI Key:
XEKNACRTWJHOCE-UHFFFAOYSA-N
SMILES:
Oc1nc(S)nc(c1)c1ccccc1
EC Number:
253-227-4
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Determination of thyreostatics in animal feeds by CE with electrochemical detector. Electrophoresis 20091001
Analysis of thyreostatic drugs in thyroid samples by ultra-performance liquid chromatography tandem mass spectrometry detection. Analytica chimica acta 20080609
A forward chemical genetic screen reveals an inhibitor of the Mre11-Rad50-Nbs1 complex. Nature chemical biology 20080201
A novel approach for simultaneous determination of 2-mercaptobenzimidazole and derivatives of 2-thiouracil in animal tissue by gas chromatography/mass spectrometry. Rapid communications in mass spectrometry : RCM 20070101
An ultrasensitive method for the determination of thiouracil and phenylthiouracil using capillary zone electrophoresis and laser-induced fluorescence detection. Electrophoresis 20050601
Properties