1-Thiazol-2-yl-ethanol - CAS 40982-30-7

Catalog:	BB057398
Product Name:	1-Thiazol-2-yl-ethanol
CAS:	40982-30-7
Synonyms:	α-Methyl-2-thiazolemethanol; (±)-1-(2-Thiazolyl)ethanol; 1-(1,3-Thiazol-2-yl)ethan-1-ol; 1-(1,3-Thiazol-2-yl)ethanol; 1-(2-Thiazol)ethanol;1-(2-Thiazolyl)ethanol; 2-(1-Hydroxyethyl)thiazole

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	1-(1,3-thiazol-2-yl)ethanol
Description:	1-Thiazol-2-yl-ethanol is used in preparation of sulfonylurea compounds for treating conditions associated with NLRP activity.
Molecular Weight:	129.18
Molecular Formula:	C5H7NOS
Canonical SMILES:	CC(C1=NC=CS1)O
InChI:	InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-4,7H,1H3
InChI Key:	YTYLXXDUJXUJJJ-UHFFFAOYSA-N
References:	Katz, J., et al. PCT Int. Appl., (2020).

Publication Number	Title	Priority Date
CN-111410653-A	Dihydroisoquinoline compound	20190108
WO-2020143604-A1	Dihydroisoquinoline compound	20190108
KR-20210111807-A	Dihydroisoquinoline compounds	20190108
CN-111410653-B	Dihydroisoquinoline compound	20190108
CN-113999224-A	Dihydroisoquinoline compound	20190108
CN-114014854-A	Dihydroisoquinoline compound	20190108
EP-3909951-A1	Dihydroisoquinoline compound	20190108
US-2022081434-A1	Dihydroisoquinoline compound	20190108
WO-2020102574-A1	The compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116

PMID	Publication Date	Title	Journal
5852	19760301	Vagal reflexes in the bronchoconstriction occurring after induced intravascular platelet aggregation	Acta physiologica Scandinavica

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.02483502
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.02483502
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5