chempirical

2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride

C15H23ClO2SCAS 6553-96-4302.86 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C15H23ClO2S
Molar mass
302.86 g/mol
Exact mass
302.1107 Da
Melting point
96.8–97.5 °C
logP
4.98Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
6553-96-4
SMILES
CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1
InChIKey
JAPYIBBSTJFDAK-UHFFFAOYSA-N
InChI
InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3

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Names and synonyms

10 names
  • Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-
  • Benzenesulfonyl chloride, 2,4,6-triisopropyl-
  • 2,4,6-Triisopropylbenzenesulfonyl chloride
  • 2,4,6-Triisopropylphenylsulfonyl chloride
  • 2,4,6-Tris(isopropyl)benzenesulfonyl chloride
  • NSC 102803
  • 2,4,6-Triisopropylbenzene-1-sulfonyl chloride
  • Tripsyl chloride
  • 2,4,6-Triisopropylbenzenesulfonoyl chloride
  • 2,4,6-Tri(propan-2-yl)benzenesulfonyl chloride

Work with 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Triisopropylbenzenesulfonyl hydrazide39085-59-154 % similar 2,4,6-Triisopropylbenzenesulfonyl azide36982-84-049 % similar 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-imidazole50257-40-446 % similar 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole54230-60-345 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-242 % similar 1,3,5-Triisopropylbenzene717-74-841 % similar 2,4,6-Tris(1-methylethyl)benzoic acid49623-71-441 % similar 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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