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141763-70-4 | 4(5H)-Thiazolone, 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-
CAS No: 141763-70-4 Catalog No: AG001H0P MDL No:
Product Description
Catalog Number:
AG001H0P
Chemical Name:
4(5H)-Thiazolone, 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-
CAS Number:
141763-70-4
Molecular Formula:
C7H8N4OS
Molecular Weight:
196.2296
IUPAC Name:
2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-thiazol-4-one
InChI:
InChI=1S/C7H8N4OS/c1-3-5(6(8)11-10-3)7-9-4(12)2-13-7/h2H2,1H3,(H3,8,10,11)
InChI Key:
QUIXTVRWYKOFPM-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)c1c(C)[nH]nc1N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.228g/mol
Monoisotopic Mass:
196.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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