2,4-Dimethylthiophene

C₆H₈SCAS 638-00-6112.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈S
Molar mass: 112.19 g/mol
Exact mass: 112.0347 Da
Boiling point: 140.7 °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 vapor33.3% of notifiers
H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

638-00-6

SMILES

Cc1csc(C)c1

InChIKey

CPULIKNSOUFMPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Thiophene, 2,4-dimethyl-

Work with 2,4-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

4-Bromo-2-methylthiophene29421-92-950 % similar 4-Methylthiophene-2-boronic acid162607-15-044 % similar 2-Acetyl-4-methylthiophene13679-73-741 % similar 4-Methyl-2-thiophenecarboxylic acid14282-78-140 % similar 2-Methylthiophene554-14-338 % similar Mesitylene108-67-837 % similar 3,5-Dimethylthianaphthene1964-45-032 % similar 3-Methylthiophene616-44-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethylthiophene1795-01-3 2,3-Dimethylthiophene632-16-6 2,5-Dimethylthiophene638-02-8 2-Ethylthiophene872-55-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook