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65802-56-4 | 6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate
CAS No: 65802-56-4 Catalog No: AG003KQD MDL No:MFCD00150556
Product Description
Catalog Number:
AG003KQD
Chemical Name:
6-Amino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one hydrate
CAS Number:
65802-56-4
Molecular Formula:
C4H7N3O2S
Molecular Weight:
161.1823
MDL Number:
MFCD00150556
IUPAC Name:
6-amino-2-sulfanylidene-1H-pyrimidin-4-one;hydrate
InChI:
InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2
InChI Key:
BWYGMIYEADAIGW-UHFFFAOYSA-N
SMILES:
Nc1cc(=O)[nH]c(=S)[nH]1.O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
161.179g/mol
Monoisotopic Mass:
161.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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