2-Methylthiazole-4-methanol - CAS 76632-23-0

Catalog:	BB035642
Product Name:	2-Methylthiazole-4-methanol
CAS:	76632-23-0
Synonyms:	(2-methyl-4-thiazolyl)methanol; (2-methyl-1,3-thiazol-4-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-methyl-1,3-thiazol-4-yl)methanol
Description:	2-Methylthiazole-4-methanol (CAS# 76632-23-0) is a useful reagent in study of modified arylsulfonamide HIV protease inhibitors.
Molecular Weight:	129.18
Molecular Formula:	C5H7NOS
Canonical SMILES:	CC1=NC(=CS1)CO
InChI:	InChI=1S/C5H7NOS/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChI Key:	KRCIFTBSQKDYMH-UHFFFAOYSA-N
Boiling Point:	242.697 °C at 760 mmHg
Density:	1.264 g/cm³
Appearance:	Solid
LogP:	0.94380

Publication Number	Title	Priority Date
WO-2021019051-A1	Inhibitors of human atgl	20190730
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
WO-2019218957-A1	Compound as protease activated receptor 4 (par4) inhibitor for treating platelet aggregation	20180516
CN-112074522-A	Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation	20180516
AU-2018379077-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	61.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5