2-Chlorothiophene-3-carbaldehyde - CAS 14345-98-3

Catalog:	BB009605
Product Name:	2-Chlorothiophene-3-carbaldehyde
CAS:	14345-98-3
Synonyms:	2-chloro-3-thiophenecarboxaldehyde; 2-chlorothiophene-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-chlorothiophene-3-carbaldehyde
Description:	2-Chlorothiophene-3-carbaldehyde (CAS# 14345-98-3) is a useful reagent in the discovery and optimization of substituted piperidines as potent, selective, CNS-penetrant α4β2 nAChR potentiators.
Molecular Weight:	146.59
Molecular Formula:	C5H3ClOS
Canonical SMILES:	C1=CSC(=C1C=O)Cl
InChI:	InChI=1S/C5H3ClOS/c6-5-4(3-7)1-2-8-5/h1-3H
InChI Key:	UFRQDLJDTSUKCS-UHFFFAOYSA-N
LogP:	2.21400

Publication Number	Title	Priority Date
WO-2019218418-A1	Preparation method for synthesizing photosensitive compound through claisen-schmidt reaction	20180517
US-2019322658-A1	Antiproliferation compounds and uses thereof	20180424
WO-2019209759-A1	Antiproliferation compounds and uses thereof	20180424
AU-2019261308-A1	Antiproliferation compounds and uses thereof	20180424
TW-202012400-A	Anti-proliferative compounds and their uses	20180424

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Related Functional Groups

Carbonyl Compounds

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[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	96.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.9593136
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.9593136
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2