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88722-53-6 | 1H-1,2,4-Triazol-3-amine, 1-(1-methylethyl)-5-(methylthio)-
CAS No: 88722-53-6 Catalog No: AG0046LL MDL No:
Product Description
Catalog Number:
AG0046LL
Chemical Name:
1H-1,2,4-Triazol-3-amine, 1-(1-methylethyl)-5-(methylthio)-
CAS Number:
88722-53-6
Molecular Formula:
C6H12N4S
Molecular Weight:
172.2513
IUPAC Name:
5-methylsulfanyl-1-propan-2-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C6H12N4S/c1-4(2)10-6(11-3)8-5(7)9-10/h4H,1-3H3,(H2,7,9)
InChI Key:
BWYMSZLBOGKIHQ-UHFFFAOYSA-N
SMILES:
CSc1nc(nn1C(C)C)N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.078g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.25g/mol
Monoisotopic Mass:
172.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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