COC(=O)[C@H]1CC[C@H](C(=S)N=C(C)N(C)C)CC1
Name: trans-4-[1-dimethylamino-ethylidenethiocarbamoyl]-cyclohexanecarboxylic acid methyl ester
SMILES: COC(=O)[C@H]1CC[C@H](C(=S)N=C(C)N(C)C)CC1

Molecular Processing

Molecular formula
C13H22N2O2S
Molecular weight
270.4
Exact mass
270.1402
XLogP
2.27
TPSA
41.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
76.86

Supplementary Information

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