2-(2,5-Dimethylthiazol-4-yl)acetic Acid - CAS 306937-38-2

Catalog:	BB020684
Product Name:	2-(2,5-Dimethylthiazol-4-yl)acetic Acid
CAS:	306937-38-2
Synonyms:	2-(2,5-dimethyl-4-thiazolyl)acetic acid; 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
Description:	2-(2,5-Dimethylthiazol-4-yl)acetic Acid (CAS# 306937-38-2) is a useful research chemical.
Molecular Weight:	171.22
Molecular Formula:	C7H9NO2S
Canonical SMILES:	CC1=C(N=C(S1)C)CC(=O)O
InChI:	InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)8-5(2)11-4/h3H2,1-2H3,(H,9,10)
InChI Key:	FFPWICPYXBDRHM-UHFFFAOYSA-N
Boiling Point:	320.5 °C at 760 mmHg
Density:	1.295 g/cm³
LogP:	1.38700

Publication Number	Title	Priority Date
WO-2013068785-A1	Indanone and indandione derivatives and heterocyclic analogs	20111109
AU-2010250789-A1	Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists	20090518
AU-2010250789-B2	Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists	20090518
CA-2760885-A1	Bridged spiro [2.4] heptane derivatives as alx receptor and/or fprl2 agonists	20090518
CA-2760885-C	Bridged spiro [2.4] heptane derivatives as alx receptor and/or fprl2 agonists	20090518

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[4313-03-5]
2,4-Heptadienal
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.03539970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.03539970
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3