(E)-3-(2-Thienyl)acrylic Acid - CAS 15690-25-2

Catalog:	BB011278
Product Name:	(E)-3-(2-Thienyl)acrylic Acid
CAS:	15690-25-2
Synonyms:	(E)-3-thiophen-2-yl-2-propenoic acid; (E)-3-thiophen-2-ylprop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-thiophen-2-ylprop-2-enoic acid
Description:	(E)-3-(2-Thienyl)acrylic Acid (CAS# 15690-25-2) is used in the synthesis of anti-HIV HEPT analogs. Also used in the synthesis of benzimidazole and caffeine (C080100) analogs as inhibitors of monoamine oxidase B.
Molecular Weight:	154.19
Molecular Formula:	C7H6O2S
Canonical SMILES:	C1=CSC(=C1)C=CC(=O)O
InChI:	InChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
InChI Key:	KKMZQOIASVGJQE-ONEGZZNKSA-N
Boiling Point:	298.9 ℃ at 760 mmHg
MDL:	MFCD00005455
LogP:	1.84590

Publication Number	Title	Priority Date
US-2020317602-A1	Myocardial regeneration promoting compounds, preparation method thereof, pharmaceutical composition, and their use	20190408
US-11124472-B2	Myocardial regeneration promoting compounds, preparation method thereof, and pharmaceutical composition	20190408
CN-109096235-A	2,2- dimethylebenzopyran analog derivative and its preparation method and application	20181101
WO-2019219016-A1	Acrylic compound and preparation method therefor and pharmaceutical composition and application thereof	20180514
CN-112204018-A	Acrylic acid compounds, preparation method thereof, pharmaceutical composition and application	20180514

PMID	Publication Date	Title	Journal
21167710	20110501	Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)	Bioorganic & medicinal chemistry letters
17806099	20071001	Precursor-directed biosynthesis of stilbene methyl ethers in Escherichia coli	Biotechnology journal

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic 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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	154.00885060
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.00885060
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7