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84827-78-1 | 3-Amino-1-methyl-5-methylthio-1,2,4-triazole
CAS No: 84827-78-1 Catalog No: AG004N66 MDL No:MFCD00051817
Product Description
Catalog Number:
AG004N66
Chemical Name:
3-Amino-1-methyl-5-methylthio-1,2,4-triazole
CAS Number:
84827-78-1
Molecular Formula:
C4H8N4S
Molecular Weight:
144.1981
MDL Number:
MFCD00051817
IUPAC Name:
1-methyl-5-methylsulfanyl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)
InChI Key:
GHBGCSIFUKEXTC-UHFFFAOYSA-N
SMILES:
Cn1nc(nc1SC)N
Properties
Complexity:
98.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.047g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.196g/mol
Monoisotopic Mass:
144.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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