3,4-Dimethoxybenzene-1-thiol

C₈H₁₀O₂SCAS 700-96-9170.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O₂S
Molar mass: 170.23 g/mol
Exact mass: 170.0402 Da
logP: 1.99Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 1 / 3
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

700-96-9

SMILES

COC1=C(C=C(C=C1)S)OC

InChIKey

MTKAJLNGIVXZIS-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3

Weigh it out

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Names and synonyms

1 names

3,4-Dimethoxythiophenol

Work with 3,4-Dimethoxybenzene-1-thiol

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-Trimethoxybenzene135-77-354 % similar 3,4-Dimethoxytoluene494-99-552 % similar 3-Methoxybenzenethiol15570-12-450 % similar 3,4-Dimethoxyphenol2033-89-850 % similar Bromoveratrole2859-78-150 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-950 % similar 4-Iodo-1,2-dimethoxybenzene5460-32-250 % similar 3,4-Dimethoxyaniline6315-89-550 % similar

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

Same formula

2,5-Dimethoxythiophenol1483-27-8 [(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 p-Tolyl methyl sulfone59203-01-9

Elsewhere

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