1,2,4-Triazine, 3-(methylthio)-


Chemical Name: 1,2,4-Triazine, 3-(methylthio)-
CAS Number: 28735-21-9
Product Number: AG002WAB(AGN-PC-0JOZIM)
Synonyms:
MDL No:
Molecular Formula: C4H5N3S
Molecular Weight: 127.1676

Identification/Properties


Computed Properties
Molecular Weight:
127.165g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
127.02g/mol
Monoisotopic Mass:
127.02g/mol
Topological Polar Surface Area:
64A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
68.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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