Thiazole - CAS 288-47-1

Catalog:	BB019990
Product Name:	Thiazole
CAS:	288-47-1
Synonyms:	1,3-thiazole

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Computed Properties

IUPAC Name:	1,3-thiazole
Description:	Thiazole (CAS# 288-47-1) is a thromboxane receptor antagonist that reduced the development of monocrotaline-induced pulmonary hypertension in rats.
Molecular Weight:	85.13
Molecular Formula:	C3H3NS
Canonical SMILES:	C1=CSC=N1
InChI:	InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChI Key:	FZWLAAWBMGSTSO-UHFFFAOYSA-N
Boiling Point:	117-118 °C
Purity:	> 95 %
Density:	1.198 g/cm³
Appearance:	Thiazole appears as colorless or pale yellow liquid with a foul odor
MDL:	MFCD00005315
LogP:	1.14310

Publication Number	Title	Priority Date
CN-113512090-A	Granzyme B binding compound, precursor compound thereof and application	20210430
CN-113264899-A	1,3,5-oxadiazine compound and preparation and application thereof	20210409
CN-113200977-A	N- (4-thiazolyl) -3-pyrazolamine and preparation method thereof	20210331
JP-2021066746-A	Conjugates of cytotoxic agents and cell-binding receptors	20210204
CN-112898361-A	5-O-mycylamine glycosyl tylosin lactone derivative and preparation method and application thereof	20210201

PMID	Publication Date	Title	Journal
34170685	20210719	A Gene Expression Biomarker Predicts Heat Shock Factor 1 Activation in a Gene Expression Compendium	Chemical research in toxicology
34080862	20210624	Discovery of AZD8154, a Dual PI3Kγδ Inhibitor for the Treatment of Asthma	Journal of medicinal chemistry
33766764	20210601	Nonbisphosphonate inhibitors of Plasmodium falciparum FPPS/GGPPS	Bioorganic & medicinal chemistry letters
33806369	20210304	A Commonly Used Biocide 2-N-octyl-4-isothiazolin-3-oneInduces Blood-Brain Barrier Dysfunction via Cellular Thiol Modification and Mitochondrial Damage	International journal of molecular sciences
33253783	20210301	Meloxicam methyl group determines enzyme specificity for thiazole bioactivation compared to sudoxicam	Toxicology letters

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GHS Hazard Statement:	H225 (86.27%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H226 (13.4%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (13.07%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (12.75%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (12.75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	30.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.99862027
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	84.99862027
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4