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89730-88-1 | 1,2,4-Triazin-6(1H)-one, 3-methyl-5-(methylthio)-
CAS No: 89730-88-1 Catalog No: AG00428O MDL No:
Product Description
Catalog Number:
AG00428O
Chemical Name:
1,2,4-Triazin-6(1H)-one, 3-methyl-5-(methylthio)-
CAS Number:
89730-88-1
Molecular Formula:
C5H7N3OS
Molecular Weight:
157.1936
IUPAC Name:
3-methyl-5-methylsulfanyl-1H-1,2,4-triazin-6-one
InChI:
InChI=1S/C5H7N3OS/c1-3-6-5(10-2)4(9)8-7-3/h1-2H3,(H,8,9)
InChI Key:
FHYHOSONDRCDPN-UHFFFAOYSA-N
SMILES:
CSc1nc(C)n[nH]c1=O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.191g/mol
Monoisotopic Mass:
157.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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