CSCCCCC1(CCCC1)C(=O)O
Name: 1-(4-methylsulfanylbutyl)cyclopentane-1-carboxylic acid
SMILES: CSCCCCC1(CCCC1)C(=O)O

Molecular Processing

Molecular formula
C11H20O2S
Molecular weight
216.35
Exact mass
216.1184
XLogP
3.16
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
60.77

Supplementary Information

InChIKey: JSYRKEIKVJOFDD-UHFFFAOYSA-N
Synonyme
SCHEMBL6580586JSYRKEIKVJOFDD-UHFFFAOYSA-N1-[4-(methylthio)butyl]cyclopentanecarboxylic acid
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