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100130-05-0 | 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
CAS No: 100130-05-0 Catalog No: AG00011I MDL No:MFCD12407810
Product Description
Catalog Number:
AG00011I
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
CAS Number:
100130-05-0
Molecular Formula:
C6H7N3O2S
Molecular Weight:
185.2037
MDL Number:
MFCD12407810
IUPAC Name:
5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChI Key:
NTEPDMJNOBYJHJ-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(n1)C(=O)O)N
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:
0.8
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