2,5-Dimethylthiophene - CAS 638-02-8

Catalog:	BB032283
Product Name:	2,5-Dimethylthiophene
CAS:	638-02-8
Synonyms:	2,5-dimethylthiophene

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Computed Properties

IUPAC Name:	2,5-dimethylthiophene
Description:	2,5-Dimethylthiophene (CAS# 638-02-8) is a useful research chemical.
Molecular Weight:	112.19
Molecular Formula:	C6H8S
Canonical SMILES:	CC1=CC=C(S1)C
InChI:	InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3
InChI Key:	GWQOOADXMVQEFT-UHFFFAOYSA-N
Boiling Point:	134-136 °C
Melting Point:	-63 °C
Purity:	95 %
Density:	0.985 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
Storage:	Flammables area
MDL:	MFCD00005452
LogP:	2.36490
Vapor Pressure:	3.0 [mmHg]

Publication Number	Title	Priority Date
US-2021193938-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20191224
EP-3839009-A1	Liquid-crystalline medium and liquid-crystal display comprising the same	20191220
US-2021189241-A1	Liquid-crystalline medium and liquid-crystal display comprising the same	20191220
US-2021193937-A1	Organometallic compound and organic light-emitting device including the same	20191220
EP-3839008-A1	Liquid crystal medium	20191217

PMID	Publication Date	Title	Journal
22064921	20110901	1,1'-(2,5-Dimethyl-thio-phene-3,4-di-yl)diethanone	Acta crystallographica. Section E, Structure reports online
21588735	20100825	(2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(2,5-dimethyl-3-thien-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21588700	20100821	(2E)-1-(2,5-Dimethyl-3-thien-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21588620	20100811	(E)-1-(2,5-Dimethyl-3-thien-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21588422	20100731	(2E)-3-(3,4-Dimeth-oxy-phen-yl)-1-(2,5-dimethyl-thio-phen-3-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[315683-17-1]
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
[43028-63-3]
Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	53.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.03467143
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.03467143
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4