名称: 3-tert.butyl-5-methylthio-4H-1,2,4-triazole
SMILES:
CSc1nnc(C(C)(C)C)[nH]1Molecular Processing
Molecular formula
C7H13N3S
Molecular weight
171.27
Exact mass
171.083
XLogP
1.82
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
46.86
Supplementary Information
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