chempirical

1-Iodo-2-methylsulfanylbenzene

C7H7ISCAS 33775-94-9250.10 g/mol

Open in Covalent MOL file
SI
Aryl halideSulfide

Properties

Molecular formula
C7H7IS
Molar mass
250.10 g/mol
Exact mass
249.9313 Da
logP
3.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
33775-94-9
SMILES
CSC1=CC=CC=C1I
InChIKey
YENHZHSFWAPGIR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Iodothioanisole

Work with 1-Iodo-2-methylsulfanylbenzene

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-Bromothioanisole19614-16-550 % similar 2-(Methylthio)phenol1073-29-648 % similar 2-Chlorophenyl methyl sulfide17733-22-148 % similar 2-(Methylthio)aniline2987-53-348 % similar 2-Fluorothioanisole655-20-948 % similar 1,2-Diiodobenzene615-42-948 % similar 2-Methoxythioanisole2388-73-045 % similar 2-(Methylthio)benzonitrile6609-54-745 % similar

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

Same formula

3-Iodothioanisole130416-73-8 1-Iodo-4-(methylsulfanyl)benzene35371-03-0

Elsewhere

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