3,4-Dimethoxythiophene

C6H8O2SCAS 51792-34-8144.19 g/mol

Open in Covalent MOL file
OSO
Ether

Properties

Molecular formula
C6H8O2S
Molar mass
144.19 g/mol
Exact mass
144.0245 Da
logP
1.77Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
51792-34-8
SMILES
COC1=CSC=C1OC
InChIKey
ZUDCKLVMBAXBIF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3

Weigh it out

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

Work with 3,4-Dimethoxythiophene

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

2,3,6,7,10,11-Hexamethoxytriphenylene808-57-145 % similar 1,2-Dimethoxybenzene91-16-745 % similar 3,4-Ethylenedioxythiophene126213-50-143 % similar 3-Methoxythiophene17573-92-142 % similar 1,4-Dimethoxynaphthalene10075-62-439 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-539 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-739 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook