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28735-21-9 | 1,2,4-Triazine, 3-(methylthio)-
CAS No: 28735-21-9 Catalog No: AG002WAB MDL No:MFCD00490024
Product Description
Catalog Number:
AG002WAB
Chemical Name:
1,2,4-Triazine, 3-(methylthio)-
CAS Number:
28735-21-9
Molecular Formula:
C4H5N3S
Molecular Weight:
127.1676
MDL Number:
MFCD00490024
IUPAC Name:
3-methylsulfanyl-1,2,4-triazine
InChI:
InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
InChI Key:
NFHGWQLAJYTULJ-UHFFFAOYSA-N
SMILES:
CSc1nccnn1
NSC Number:
276290
Properties
Complexity:
68.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.02g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.165g/mol
Monoisotopic Mass:
127.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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