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89179-74-8 | 1,2,4-Triazin-5(2H)-one, 3-(ethylthio)-
CAS No: 89179-74-8 Catalog No: AG003W9O MDL No:
Product Description
Catalog Number:
AG003W9O
Chemical Name:
1,2,4-Triazin-5(2H)-one, 3-(ethylthio)-
CAS Number:
89179-74-8
Molecular Formula:
C5H7N3OS
Molecular Weight:
157.1936
IUPAC Name:
3-ethylsulfanyl-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C5H7N3OS/c1-2-10-5-7-4(9)3-6-8-5/h3H,2H2,1H3,(H,7,8,9)
InChI Key:
VOJQPNDDEGMTQW-UHFFFAOYSA-N
SMILES:
CCSc1nc(=O)cn[nH]1
Properties
Complexity:
199
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.191g/mol
Monoisotopic Mass:
157.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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