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7249-72-1 | 4-Pyrimidinecarboxylicacid, 2-amino-6-(methylthio)-
CAS No: 7249-72-1 Catalog No: AG005GXL MDL No:
Product Description
Catalog Number:
AG005GXL
Chemical Name:
4-Pyrimidinecarboxylicacid, 2-amino-6-(methylthio)-
CAS Number:
7249-72-1
Molecular Formula:
C6H7N3O2S
Molecular Weight:
185.2037
IUPAC Name:
2-amino-6-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O2S/c1-12-4-2-3(5(10)11)8-6(7)9-4/h2H,1H3,(H,10,11)(H2,7,8,9)
InChI Key:
HBUMXKKBJLHTJM-UHFFFAOYSA-N
SMILES:
CSc1nc(N)nc(c1)C(=O)O
NSC Number:
45045
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.201g/mol
Monoisotopic Mass:
185.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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