Thieno[2,3-b]pyridine-2-carboxaldehyde - CAS 53174-98-4

Catalog:	BB028073
Product Name:	Thieno[2,3-b]pyridine-2-carboxaldehyde
CAS:	53174-98-4
Synonyms:	2-thieno[2,3-b]pyridinecarboxaldehyde; thieno[2,3-b]pyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	thieno[2,3-b]pyridine-2-carbaldehyde
Description:	Thieno[2,3-b]pyridine-2-carboxaldehyde (CAS# 53174-98-4 ) is a useful research chemical.
Molecular Weight:	163.20
Molecular Formula:	C8H5NOS
Canonical SMILES:	C1=CC2=C(N=C1)SC(=C2)C=O
InChI:	InChI=1S/C8H5NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-5H
InChI Key:	HGZQKYOLRLVMHZ-UHFFFAOYSA-N
Boiling Point:	320.2 °C at 760 mmHg
Density:	1.384 g/cm³
LogP:	2.10880

Publication Number	Title	Priority Date
KR-20180094514-A	Bruton tyrosine kinase inhibitors and methods for their use	20151210
WO-2015066371-A1	SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF Î±-7-NICOTINIC ACETYLCHOLINE RECEPTORS	20131031
AU-2014230122-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315
CA-2900888-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315
EP-2970215-A1	Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy	20130315

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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:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.00918496
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2