1,2,3-Thiadiazole-4-carbaldehyde - CAS 27643-15-8

Name: 1,2,3-Thiadiazole-4-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019627
Product Name:	1,2,3-Thiadiazole-4-carbaldehyde
CAS:	27643-15-8
Synonyms:	4-thiadiazolecarboxaldehyde; thiadiazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	thiadiazole-4-carbaldehyde
Description:	1,2,3-Thiadiazole-4-carbaldehyde (CAS# 27643-15-8) is a useful research chemical.
Molecular Weight:	114.13
Molecular Formula:	C3H2N2OS
Canonical SMILES:	C1=C(N=NS1)C=O
InChI:	InChI=1S/C3H2N2OS/c6-1-3-2-7-5-4-3/h1-2H
InChI Key:	JNEBZFFTOLBIKJ-UHFFFAOYSA-N
Boiling Point:	220.6 °C at 760 mmHg
Density:	1.481 g/cm³
Appearance:	Light brown crystalline powder
MDL:	MFCD02180762
LogP:	0.35060

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (28.57%): 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

Publication Number	Title	Priority Date
CN-109354591-B	Active layer material of organic solar cell and preparation method and application thereof	20181119
CN-108794509-B	A taking thiazolothiazole as core2-Ï€-A1-Ï€-A2Preparation and application of small molecule receptor material	20180528
WO-2019121885-A1	1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors	20171220
CN-111556871-A	1H-pyrazolo [4,3-b ] pyridines as PDE1 inhibitors	20171220
EP-3728249-A1	1H -PYRAZOLO[4,3-b ]PYRIDINES AS PDE1 INHIBITORS	20171220

Complexity:	77.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.98878387
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.98878387
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2