2-(tert-Butylthio)benzaldehyde

C₁₁H₁₄OSCAS 65924-65-4194.29 g/mol

Open in Covalent MOL file

Aldehyde Sulfide

Properties

Molecular formula: C₁₁H₁₄OS
Molar mass: 194.29 g/mol
Exact mass: 194.0765 Da
logP: 3.39Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

65924-65-4

SMILES

CC(C)(C)SC1=CC=CC=C1C=O

InChIKey

KQQXCBJAELTJRT-UHFFFAOYSA-N

InChI

InChI=1S/C11H14OS/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(tert-Butylthio)benzaldehyde

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-(Trifluoromethylthio)benzaldehyde57830-48-563 % similar 2-(Methylthio) benzaldehyde7022-45-958 % similar Phthalaldehyde643-79-848 % similar 2-(4-Chlorophenylthio)benzaldehyde107572-07-645 % similar 2-Methylbenzaldehyde529-20-444 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-543 % similar 1,2,4,5-Tetrakis(tert-butylthio)benzene447463-65-241 % similar 2-Formylphenylboronic acid pinacol ester380151-85-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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