이름: thiol
SMILES:
O=S(=O)(O)CCn1nnnc1SMolecular Processing
Molecular formula
C3H6N4O3S2
Molecular weight
210.24
Exact mass
209.9881
XLogP
-1.15
TPSA
97.97
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
41.48
Supplementary Information
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