Dibenzo[b,d]thiophene-4-carbaldehyde - CAS 23985-81-1

Catalog:	BB018277
Product Name:	Dibenzo[b,d]thiophene-4-carbaldehyde
CAS:	23985-81-1
Synonyms:	dibenzothiophene-4-carbaldehyde

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Computed Properties

IUPAC Name:	dibenzothiophene-4-carbaldehyde
Description:	Dibenzo[b,d]thiophene-4-carbaldehyde (CAS# 23985-81-1) is a useful research chemical.
Molecular Weight:	212.27
Molecular Formula:	C13H8OS
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O
InChI:	InChI=1S/C13H8OS/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H
InChI Key:	XESZAOMRYLSHOM-UHFFFAOYSA-N
Boiling Point:	403.6 °C at 760 mmHg
Density:	1.336 g/cm³
MDL:	MFCD00961967
LogP:	3.86700

Publication Number	Title	Priority Date
KR-20190075322-A	Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof	20171221
US-10392387-B2	Substituted benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,8]naphthyridines, benzo[4,5]imidazo[1,2-a]phenanthro[9,10-c][1,5]naphthyridines and dibenzo[f,h]benzo[4,5]imidazo[2,1-a]pyrazino[2,3-c]isoquinolines as thermally assisted delayed fluorescent materials	20170519
US-2020071330-A1	Thermally assisted delayed fluorescent materials with triad-type materials	20170519
US-10851106-B2	Substituted benzo[4,5]imidazo[1,2-F]phenanthridines, dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzofurophenanthridines and dibenzo[I.K]benzo[4,5]imidazo[1,2-F]benzo[4,5]thienophenanthridines as thermally assisted delayed fluorescent materials	20170519
US-2021024526-A1	Thermally assisted delayed fluorescent materials with triad-type materials	20170519

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.02958605
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.02958605
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7