5-Methylthiazole-2-carbaldehyde - CAS 13838-78-3

Catalog:	BB008746
Product Name:	5-Methylthiazole-2-carbaldehyde
CAS:	13838-78-3
Synonyms:	5-methyl-2-thiazolecarboxaldehyde; 5-methyl-1,3-thiazole-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1,3-thiazole-2-carbaldehyde
Description:	5-Methylthiazole-2-carbaldehyde (CAS# 13838-78-3) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	CC1=CN=C(S1)C=O
InChI:	InChI=1S/C5H5NOS/c1-4-2-6-5(3-7)8-4/h2-3H,1H3
InChI Key:	UUIAJFQYWAFZEO-UHFFFAOYSA-N
Boiling Point:	236 °C at 760 mmHg
Density:	1.27 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD08060733
LogP:	1.26400

Publication Number	Title	Priority Date
CN-113149894-A	(E) Pharmaceutical use of (E) -3-arylheterocyclylprop-2-enoic acid derivatives	20200622
WO-2020167976-A1	Thieno[3,2-b] pyrrole[3,2-d]pyridazinone derivatives and their use as pkm2 derivatives for the treatment of cancer, obesity and diabetes related disorders	20190213
CA-2969164-A1	Heterocyclic derivatives as rorgamma modulators	20141223
EP-3237396-A1	Heterocyclic derivatives as rorgamma modulators	20141223
EP-3237396-B1	Heterocyclic derivatives as rorgamma modulators	20141223

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Carbonyl Compounds

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1