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87591-99-9 | 1,2,4-Triazin-6-amine, N-methyl-3,5-bis(methylthio)-
CAS No: 87591-99-9 Catalog No: AG004IKY MDL No:
Product Description
Catalog Number:
AG004IKY
Chemical Name:
1,2,4-Triazin-6-amine, N-methyl-3,5-bis(methylthio)-
CAS Number:
87591-99-9
Molecular Formula:
C6H10N4S2
Molecular Weight:
202.3004
IUPAC Name:
N-methyl-3,5-bis(methylsulfanyl)-1,2,4-triazin-6-amine
InChI:
InChI=1S/C6H10N4S2/c1-7-4-5(11-2)8-6(12-3)10-9-4/h1-3H3,(H,7,9)
InChI Key:
DALPCWWTZGIETK-UHFFFAOYSA-N
SMILES:
CSc1nc(SC)nnc1NC
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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