1-Benzothiophen-3(2H)-one - CAS 130-03-0

Catalog:	BB007039
Product Name:	1-Benzothiophen-3(2H)-one
CAS:	130-03-0
Synonyms:	1-benzothiophen-3-one; 1-benzothiophen-3-one

Technical Data

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Computed Properties

IUPAC Name:	1-benzothiophen-3-one
Description:	1-Benzothiophen-3(2H)-one (CAS# 130-03-0) is a useful research chemical.
Molecular Weight:	150.20
Molecular Formula:	C8H6OS
Canonical SMILES:	C1C(=O)C2=CC=CC=C2S1
InChI:	InChI=1S/C8H6OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4H,5H2
InChI Key:	ADHAJDDBRUOZHJ-UHFFFAOYSA-N
Boiling Point:	273.393 °C at 760 mmHg
Density:	1.312 g/cm³
Storage:	Sealed in dry, Store in freezer, under -20 °C
MDL:	MFCD08061607
LogP:	1.97500

Publication Number	Title	Priority Date
KR-20210108918-A	Novel compound and organic light emitting device comprising the same	20200226
WO-2021162115-A1	Laminate, display device, and organic electroluminescence display device	20200213
WO-2021159015-A1	Nampt modulators	20200207
WO-2021141078-A1	Photoelectric conversion element, imaging element, and optical sensor	20200110
WO-2021066082-A1	Multilayer body and organic electroluminescent display device	20190930

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.01393598
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.01393598
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2