(4,5-Dimethylthiazol-2-yl)methanol - CAS 99839-16-4

Catalog:	BB042347
Product Name:	(4,5-Dimethylthiazol-2-yl)methanol
CAS:	99839-16-4
Synonyms:	(4,5-dimethyl-2-thiazolyl)methanol; (4,5-dimethyl-1,3-thiazol-2-yl)methanol

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Computed Properties

IUPAC Name:	(4,5-dimethyl-1,3-thiazol-2-yl)methanol
Description:	(4,5-Dimethylthiazol-2-yl)methanol (CAS# 99839-16-4) is a useful research chemical.
Molecular Weight:	143.21
Molecular Formula:	C6H9NOS
Canonical SMILES:	CC1=C(SC(=N1)CO)C
InChI:	InChI=1S/C6H9NOS/c1-4-5(2)9-6(3-8)7-4/h8H,3H2,1-2H3
InChI Key:	NNZZUYMCPDVPQA-UHFFFAOYSA-N
LogP:	1.25220

Publication Number	Title	Priority Date
AU-2016306087-A1	Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812
CA-2995099-A1	Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812
EP-3334724-A1	Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812
JP-2018522926-A	Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812
KR-20180035914-A	Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812

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GHS Hazard Statement:	H302 (100%): 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:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.04048508
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.04048508
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9