4-Chlorothiazole-5-carbaldehyde - CAS 104146-17-0

Catalog:	BB001341
Product Name:	4-Chlorothiazole-5-carbaldehyde
CAS:	104146-17-0
Synonyms:	4-chloro-5-thiazolecarboxaldehyde; 4-chloro-1,3-thiazole-5-carbaldehyde

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-chloro-1,3-thiazole-5-carbaldehyde
Description:	4-Chlorothiazole-5-carbaldehyde (CAS# 104146-17-0) is a useful research chemical.
Molecular Weight:	147.58
Molecular Formula:	C4H2ClNOS
Canonical SMILES:	C1=NC(=C(S1)C=O)Cl
InChI:	InChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChI Key:	GJTWEAFBOIYNLZ-UHFFFAOYSA-N
Boiling Point:	254.627 °C at 760 mmHg
Density:	1.541 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD09837291
LogP:	1.60900

Publication Number	Title	Priority Date
AU-2015229174-A1	Hepatitis B core protein allosteric modulators	20140313
AU-2015229174-B2	Hepatitis B core protein allosteric modulators	20140313
AU-2019203754-A1	Hepatitis B core protein allosteric modulators	20140313
CA-2942533-A1	Hepatitis b core protein allosteric modulators	20140313
EP-3116316-A1	Hepatitis b core protein allosteric modulators	20140313

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Related Functional Groups

Carbonyl Compounds

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[1035840-45-9]
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MG-132

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.9545626
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.9545626
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7