4,5-Dimethylthiophene-2-carboxaldehyde - CAS 5928-48-3

Name: 4,5-Dimethylthiophene-2-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030326
Product Name:	4,5-Dimethylthiophene-2-carboxaldehyde
CAS:	5928-48-3
Synonyms:	4,5-dimethylthiophene-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4,5-dimethylthiophene-2-carbaldehyde
Description:	4,5-Dimethylthiophene-2-carboxaldehyde (CAS# 5928-48-3 ) is a useful research chemical.
Molecular Weight:	140.20
Molecular Formula:	C7H8OS
Canonical SMILES:	CC1=C(SC(=C1)C=O)C
InChI:	InChI=1S/C7H8OS/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChI Key:	QSBBXKVGLJSGAJ-UHFFFAOYSA-N
Boiling Point:	80 °C
Density:	1.179 g/cm³
Appearance:	Colorless to brown liquid
MDL:	MFCD02093897
LogP:	2.17740

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CA-3061245-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428
EP-3395803-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428
EP-3615516-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428
US-2020129644-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428
WO-2018197727-A1	Imidazopyrazine derivatives, process for preparation thereof, and their uses as luciferins	20170428

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02958605
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2