2-Bromo-5-(hydroxymethyl)thiazole - CAS 687636-93-7

Catalog:	BB033628
Product Name:	2-Bromo-5-(hydroxymethyl)thiazole
CAS:	687636-93-7
Synonyms:	(2-bromo-5-thiazolyl)methanol; (2-bromo-1,3-thiazol-5-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-bromo-1,3-thiazol-5-yl)methanol
Description:	2-Bromo-5-(hydroxymethyl)thiazole (CAS# 687636-93-7) is a useful research chemical.
Molecular Weight:	194.05
Molecular Formula:	C4H4BrNOS
Canonical SMILES:	C1=C(SC(=N1)Br)CO
InChI:	InChI=1S/C4H4BrNOS/c5-4-6-1-3(2-7)8-4/h1,7H,2H2
InChI Key:	DWNJWSPPORNJGV-UHFFFAOYSA-N
Boiling Point:	288.3 °C at 760 mmHg
Density:	1.899 g/cm³
MDL:	MFCD04115733
LogP:	1.39790

Publication Number	Title	Priority Date
TW-202039528-A	Neuroactive steroids and their methods of use	20181205
WO-2020086728-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181024
CN-113347970-A	Compounds and compositions for treating conditions associated with NLRP activity	20181024
EP-3870168-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181024
CN-110964023-A	Fused tetracyclic compounds and application thereof in medicines	20180930

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Related Functional Groups

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GHS Hazard Statement:	H302 (50%): 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:	82.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.91970
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.91970
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1