Name: 5-Tert-butoxycarbonylaminomethyl-1,3,4-thiadiazole-2-thiol
SMILES:
CC(C)(C)OC(=O)NCc1nnc(S)s1Molecular Processing
Molecular formula
C8H13N3O2S2
Molecular weight
247.34
Exact mass
247.0449
XLogP
1.85
TPSA
64.11
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
60.23
Supplementary Information
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