CCC(C)COS(=O)(=O)C1=CC=C(C=C1)C
CAS: 63526-71-6
Nom: 2-methylbutyl 4-methylbenzenesulfonate
SMILES: CCC(C)COS(=O)(=O)C1=CC=C(C=C1)C

Molecular Processing

Molecular formula
C12H18O3S
Molecular weight
242.34
Exact mass
242.0977
XLogP
2.75
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
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.77

Supplementary Information

InChIKey: HPEVJTNZYIMANV-UHFFFAOYSA-N
Synonymes
63526-71-6DTXSID508866191-Butanol, 2-methyl-, 4-methylbenzenesulfonate1-Butanol, 2-methyl-, 1-(4-methylbenzenesulfonate)RefChem:75218DTXCID7010259432-methylbutyl 4-methylbenzenesulfonate2-methylbutyl 4-methylbenzene-1-sulfonatep-toluenesulfonic acid 2-methylbutyl esterNSC1774922-methylbutyl tosylate2-methylbutyl p-toluenesufonateSCHEMBL42022312-methylbutyl p-toluenesulfonateNSC-177492(+)-beta-methylbutyl-4-toluenesulfonateDB-049260EN300-7226878
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Impliqué dans 9 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→