5-Hexyl-2-thiophenecarboxylic acid - CAS 90619-86-6

Catalog:	BB039910
Product Name:	5-Hexyl-2-thiophenecarboxylic acid
CAS:	90619-86-6
Synonyms:	5-hexylthiophene-2-carboxylic acid

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Computed Properties

IUPAC Name:	5-hexylthiophene-2-carboxylic acid
Description:	5-Hexyl-2-thiophenecarboxylic acid (CAS# 90619-86-6) is a useful research chemical.
Molecular Weight:	212.31
Molecular Formula:	C11H16O2S
Canonical SMILES:	CCCCCCC1=CC=C(S1)C(=O)O
InChI:	InChI=1S/C11H16O2S/c1-2-3-4-5-6-9-7-8-10(14-9)11(12)13/h7-8H,2-6H2,1H3,(H,12,13)
InChI Key:	PZDADHXWGFTYAK-UHFFFAOYSA-N
LogP:	3.56910

Publication Number	Title	Priority Date
WO-2019147842-A1	Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device	20180124
CN-111902519-A	Liquid crystal composition comprising five-membered heterocyclic ring, reverse mode polymer dispersed liquid crystal element and related selectively dimmable device	20180124
US-2020347302-A1	Liquid crystal composition containing a five-membered heterocyclic ring, reverse-mode polymer dispersed liquid crystal element, and associated selectively dimmable device	20180124
JP-2021512209-A	Liquid crystal compositions containing 5-membered heterocycles, reverse mode polymer dispersed liquid crystal devices, and related selective visualization devices.	20180124
JP-H0625668-A	Liquid crystal composition, liquid crystal element having the same, display method and display device using the same	19911008

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.08710092
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.08710092
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3