2-(Methylthio) benzaldehyde

C₈H₈OSCAS 7022-45-9152.21 g/mol

Open in Covalent MOL file

Aldehyde Sulfide

Properties

Molecular formula: C₈H₈OS
Molar mass: 152.21 g/mol
Exact mass: 152.0296 Da
logP: 2.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7022-45-9

SMILES

CSC1=CC=CC=C1C=O

InChIKey

XIOBUABQJIVPCQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3

Weigh it out

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

Names and synonyms

1 names

2-(Methylthio)benzaldehyde

Work with 2-(Methylthio) 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-(tert-Butylthio)benzaldehyde65924-65-458 % similar Phthalaldehyde643-79-854 % similar 2-(Trifluoromethylthio)benzaldehyde57830-48-553 % similar 2-(4-Chlorophenylthio)benzaldehyde107572-07-649 % similar 2-(Methylthio)phenol1073-29-648 % similar 2-Methylbenzaldehyde529-20-448 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-548 % similar 2-Bromothioanisole19614-16-545 % similar

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

Same formula

4,5,6,7-Tetrahydro-4-oxothionaphthene13414-95-4 4-(Methylthio)benzaldehyde3446-89-7 Cyclopropyl-2-thienylmethanone6193-47-1 4-(2-Thienyl)-3-buten-2-one874-83-9 Phenyl thioacetate934-87-2

Elsewhere

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