2-Methoxythiophene - CAS 16839-97-7

Catalog:	BB012468
Product Name:	2-Methoxythiophene
CAS:	16839-97-7
Synonyms:	Thiophene, 2-methoxy-

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Computed Properties

Related CAS:	130410-20-7 (2-Methoxythiophene free radical)
IUPAC Name:	2-methoxythiophene
Description:	2-Methoxythiophene (CAS# 16839-97-7) is used in organic synthesis of chromophores displaying unique optical and thermal properties.
Molecular Weight:	114.17
Molecular Formula:	C5H6OS
Canonical SMILES:	COC1=CC=CS1
InChI:	InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChI Key:	OKEHURCMYKPVFW-UHFFFAOYSA-N
Boiling Point:	74-75°C at 50 Torr
Purity:	≥95%
Density:	1.120 g/cm3
MDL:	MFCD00014526
LogP:	1.75670

Publication Number	Title	Priority Date
CN-112592511-A	Sponge with electromagnetic shielding function and preparation method thereof	20201216
CN-111974458-A	Iridium catalyst loaded by PBS microspheres as well as preparation method and application thereof	20200831
WO-2021193834-A1	Mammal repellent	20200325
WO-2021113809-A1	Arylamides and methods of use thereof	20191205
WO-2021079973-A1	Onium salt, curing agent, curing accelerator, curable composition, and device manufacturing method	20191025

PMID	Publication Date	Title	Journal
22284503	20120130	Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis	Talanta

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Related Functional Groups

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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:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.01393598
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.01393598
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9