2,1,3-Benzothiadiazole-5-carbaldehyde - CAS 71605-72-6

Catalog:	BB034431
Product Name:	2,1,3-Benzothiadiazole-5-carbaldehyde
CAS:	71605-72-6
Synonyms:	2,1,3-benzothiadiazole-5-carboxaldehyde; 2,1,3-benzothiadiazole-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,1,3-benzothiadiazole-5-carbaldehyde
Description:	2,1,3-Benzothiadiazole-5-carbaldehyde (CAS# 71605-72-6) is a useful research chemical.
Molecular Weight:	164.18
Molecular Formula:	C7H4N2OS
Canonical SMILES:	C1=CC2=NSN=C2C=C1C=O
InChI:	InChI=1S/C7H4N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChI Key:	GEFIFDVQYCPLHC-UHFFFAOYSA-N
Boiling Point:	306.728 °C at 760 mmHg
Density:	1.477 g/cm³
MDL:	MFCD00457949
LogP:	1.50380

Publication Number	Title	Priority Date
WO-2021009068-A1	N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidine-2-one compounds as inhibitors of isoqc and/or qc enzyme	20190712
WO-2020169804-A1	Fused glycosidase inhibitors	20190222
WO-2020039028-A1	Tetrahydro-benzoazepine glycosidase inhibitors	20180822
US-2021238139-A1	Modulators of tryptophan catabolism	20180601
CA-3056970-A1	2-methyl-quinazolines	20170321

PMID	Publication Date	Title	Journal
4849	19760101	Thiopental anaesthesia and the acid-base balance in the blood of experimental dogs	Physiologia Bohemoslovaca

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.00443393
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.00443393
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3