1,3-Bis[(2-chloroethyl)sulfonyl]-2-propanol

C₇H₁₄Cl₂O₅S₂CAS 67006-35-3313.20 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Sulfone

Properties

Molecular formula: C₇H₁₄Cl₂O₅S₂
Molar mass: 313.20 g/mol
Exact mass: 311.9660 Da
logP: -0.35Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 8

Identifiers

CAS number

67006-35-3

SMILES

O=S(=O)(CCCl)CC(O)CS(=O)(=O)CCCl

InChIKey

RIEQDAWNHLUKFR-UHFFFAOYSA-N

InChI

InChI=1S/C7H14Cl2O5S2/c8-1-3-15(11,12)5-7(10)6-16(13,14)4-2-9/h7,10H,1-6H2

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Names and synonyms

2 names

2-Propanol, 1,3-bis[(2-chloroethyl)sulfonyl]-
1,3-Bis(β-chloroethylsulfonyl)-2-propanol

Work with 1,3-Bis[(2-chloroethyl)sulfonyl]-2-propanol

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-Chloroethanesulfonyl chloride1622-32-836 % similar 1,3-Bis(ethenylsulfonyl)-2-propanol67006-32-034 % similar Sodium 1-chloro-2-hydroxypropane-3-sulfonate126-83-033 % similar Sodium 2-chloroethanesulfonate15484-44-331 % similar

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

Elsewhere

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