Home Other Building Blocks 6-(difluoromethyl)-2-mercaptopyrimidin-4-ol

6-(difluoromethyl)-2-mercaptopyrimidin-4-ol

CAS No.:
1204298-76-9
Catalog Number:
AG008UIU
Molecular Formula:
C5H4F2N2OS
Molecular Weight:
178.1599
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Product Description
Catalog Number:
AG008UIU
Chemical Name:
6-(difluoromethyl)-2-mercaptopyrimidin-4-ol
CAS Number:
1204298-76-9
Molecular Formula:
C5H4F2N2OS
Molecular Weight:
178.1599
MDL Number:
MFCD12827718
IUPAC Name:
6-(difluoromethyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C5H4F2N2OS/c6-4(7)2-1-3(10)9-5(11)8-2/h1,4H,(H2,8,9,10,11)
InChI Key:
RPFVUMOHGFOCGJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(=O)[nH]c(=S)[nH]1)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.001g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.157g/mol
Monoisotopic Mass:
178.001g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties