2,3-Dimethylthiophene

C₆H₈SCAS 632-16-6112.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈S
Molar mass: 112.19 g/mol
Exact mass: 112.0347 Da
Density: 1.0021 g/mL (at 20 °C)
Melting point: −49 °C
Boiling point: 141.6 °C
logP: 2.36Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor25% of notifiers
H226 Flammable liquid and vapor62.5% of notifiers
H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin12.5% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled62.5% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

632-16-6

SMILES

Cc1ccsc1C

InChIKey

BZYUMXXOAYSFOW-UHFFFAOYSA-N

InChI

InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2,3-dimethyl-

Work with 2,3-Dimethylthiophene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-3-methylthiophene14282-76-950 % similar 2-Chloro-3-methylthiophene14345-97-250 % similar 2-Acetyl-3-methylthiophene13679-72-646 % similar (3-Methyl-2-thienyl)methylamine104163-35-144 % similar 3-Methylthiophene-2-boronic acid177735-09-044 % similar 3-Methylthiophene-2-carbonitrile55406-13-844 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-244 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethylthiophene1795-01-3 2,4-Dimethylthiophene638-00-6 2,5-Dimethylthiophene638-02-8 2-Ethylthiophene872-55-9

Elsewhere

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