chempirical

2,5-Dimethoxythiophenol

C8H10O2SCAS 1483-27-8170.23 g/mol

Open in Covalent MOL file
OOSH
EtherThiol

Properties

Molecular formula
C8H10O2S
Molar mass
170.23 g/mol
Exact mass
170.0402 Da
logP
1.99Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
1483-27-8
SMILES
COC1=CC(=C(C=C1)OC)S
InChIKey
SESUUAOAUZDHHP-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2S/c1-9-6-3-4-7(10-2)8(11)5-6/h3-5,11H,1-2H3

Weigh it out

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

Work with 2,5-Dimethoxythiophenol

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

1,2,4-Trimethoxybenzene135-77-362 % similar 2,5-Dimethoxytoluene24599-58-455 % similar 2-Methoxybenzenethiol7217-59-654 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-753 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-553 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-753 % similar 2,4-Dimethoxyaniline2735-04-850 % similar 2,5-Dimethoxybenzaldehyde93-02-750 % similar

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

Same formula

[(Methylsulfonyl)methyl]benzene3112-90-1 Methyl P-tolyl sulfone3185-99-7 9-Thiabicyclo(3.3.1)nonane-2,6-dione37918-35-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 S-(2-Furanylmethyl) propanethioate59020-85-8 (Ethylsulfonyl)benzene599-70-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook