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1011408-19-7 | [1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(methylthio)-
CAS No: 1011408-19-7 Catalog No: AG0003UA MDL No:MFCD10476962
Product Description
Catalog Number:
AG0003UA
Chemical Name:
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine, 2-(methylthio)-
CAS Number:
1011408-19-7
Molecular Formula:
C5H6N6S
Molecular Weight:
182.2063
MDL Number:
MFCD10476962
IUPAC Name:
2-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
InChI:
InChI=1S/C5H6N6S/c1-12-5-9-4-8-2-7-3(6)11(4)10-5/h2H,1H3,(H2,6,7,8,9,10)
InChI Key:
WRSUZSPLQCGVEU-UHFFFAOYSA-N
SMILES:
CSc1nn2c(n1)ncnc2N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.205g/mol
Monoisotopic Mass:
182.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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