CCC[C@H](C)OS(=O)(=O)c1ccc(C)cc1
Name: [(2S)-pentan-2-yl] 4-methylbenzenesulfonate
SMILES: CCC[C@H](C)OS(=O)(=O)c1ccc(C)cc1

Molecular Processing

Molecular formula
C12H18O3S
Molecular weight
242.34
Exact mass
242.0977
XLogP
2.89
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.82

Supplementary Information

InChIKey: HQSHAZLGVDYADJ-NSHDSACASA-N
Synonyme
(s)-2-pentyl tosylateSCHEMBL4203498HQSHAZLGVDYADJ-NSHDSACASA-N(S)-1-methylbutyl-p-toluene sulfonate(S) -1-methylbutyl-p-toluene sulfonate
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