6-Methylbenzo[b]thiophene - CAS 16587-47-6

Catalog:	BB012223
Product Name:	6-Methylbenzo[b]thiophene
CAS:	16587-47-6
Synonyms:	6-methyl-1-benzothiophene; 6-methyl-1-benzothiophene

Technical Data

Patents

Computed Properties

IUPAC Name:	6-methyl-1-benzothiophene
Description:	6-Methylbenzo[b]thiophene (CAS# 16587-47-6) is a useful research chemical.
Molecular Weight:	148.22
Molecular Formula:	C9H8S
Canonical SMILES:	CC1=CC2=C(C=C1)C=CS2
InChI:	InChI=1S/C9H8S/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6H,1H3
InChI Key:	WOGMIMNVXACKEB-UHFFFAOYSA-N
Boiling Point:	243 °C at 760 mmHg
Density:	1.146 g/cm³
LogP:	3.20970

Publication Number	Title	Priority Date
KR-20210067845-A	Compound and organic light emitting device comprising same	20191129
KR-20210067939-A	Compound and organic light emitting device comprising same	20191129
WO-2021107680-A1	Compound and organic light-emitting element comprising same	20191129
WO-2021101854-A1	Compounds and methods of preparing compounds s1p1 modulators	20191119
WO-2021046183-A1	Methods of treating epilepsy using the same	20190905

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Related Functional Groups

Benzofuran/Benzothiophene

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Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[184174-82-1]
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[926257-36-5]
4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid
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6-[(tert-Butyldimethylsilyl)oxy]benzofuran-3(2H)-one

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.03467143
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.03467143
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3