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89730-56-3 | 1,2,4-Triazin-5(2H)-one, 6-amino-3-(methylthio)-
CAS No: 89730-56-3 Catalog No: AG0041XN MDL No:
Product Description
Catalog Number:
AG0041XN
Chemical Name:
1,2,4-Triazin-5(2H)-one, 6-amino-3-(methylthio)-
CAS Number:
89730-56-3
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
IUPAC Name:
6-amino-3-methylsulfanyl-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C4H6N4OS/c1-10-4-6-3(9)2(5)7-8-4/h1H3,(H2,5,7)(H,6,8,9)
InChI Key:
BAWIMJIGRARSAR-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c(n[nH]1)N
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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