5-formyl-2-methylthiazole - CAS 1003-60-7

Catalog:	BB000188
Product Name:	5-formyl-2-methylthiazole
CAS:	1003-60-7
Synonyms:	2-methyl-5-thiazolecarboxaldehyde; 2-methyl-1,3-thiazole-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-thiazole-5-carbaldehyde
Description:	5-formyl-2-methylthiazole (CAS# 1003-60-7) is a useful research chemical.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	CC1=NC=C(S1)C=O
InChI:	InChI=1S/C5H5NOS/c1-4-6-2-5(3-7)8-4/h2-3H,1H3
InChI Key:	YELBTTSDCRQQRE-UHFFFAOYSA-N
Boiling Point:	219 °C at 760 mmHg
Purity:	96 %
Density:	1.27 g/cm³
Appearance:	Yellowish orange solid
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD09864617
LogP:	1.26400

Publication Number	Title	Priority Date
CN-110804061-A	Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof	20191113
CN-110804061-B	Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof	20191113
WO-2021062318-A1	Thiazole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
CN-109336904-A	A kind of preparation method of Cefditoren pivoxil Cephalosporins	20181121
WO-2020021447-A1	Nlrp3 inflammasome inhibitors	20180725

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, 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