Ethyl benzenesulfonate
Properties
- Molecular formula
- C8H10O3S
- Molar mass
- 186.23 g/mol
- Exact mass
- 186.0351 Da
- Boiling point
- 156 °C
- logP
- 1.41Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
515-46-8SMILES
CCOS(=O)(=O)c1ccccc1InChIKey
XDRMBCMMABGNMM-UHFFFAOYSA-NInChI
InChI=1S/C8H10O3S/c1-2-11-12(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzenesulfonic acid, ethyl ester
- Ethyl phenylsulfonate
- NSC 3217
Work with Ethyl benzenesulfonate
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl p-toluenesulfonate80-40-067 % similar
Butyl benzenesulfonate80-44-463 % similar
Methyl benzenesulfonate80-18-255 % similar
Propargyl benzenesulfonate6165-75-955 % similar
Diethyl P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]phosphonate31618-90-348 % similar
Diethyl ((phenylsulfonyl)methyl)phosphonate56069-39-746 % similar
Ethylene glycol ditosylate6315-52-245 % similar
(Ethylsulphonyl)benzene599-70-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds