trans-4-(2-Thienyl)-3-buten-2-one - CAS 33603-63-3

Catalog:	BB021793
Product Name:	trans-4-(2-Thienyl)-3-buten-2-one
CAS:	33603-63-3
Synonyms:	0

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Computed Properties

IUPAC Name:	(E)-4-thiophen-2-ylbut-3-en-2-one
Description:	trans-4-(2-Thienyl)-3-buten-2-one (CAS# 33603-63-3) is a useful research chemical compound.
Molecular Weight:	152.21
Molecular Formula:	C8H8OS
Canonical SMILES:	0
InChI:	0
InChI Key:	0
Boiling Point:	271.5 °C at 760 mmHg
Density:	1.151 g/mL at 25 °C (lit.)
MDL:	MFCD00053051
LogP:	2.35030

Publication Number	Title	Priority Date
WO-2021183774-A1	Treating acute respiratory distress	20200312
WO-2021087392-A1	Improving renal function after kidney transplantation	20191031
WO-2016012333-A1	Pesticidal compounds	20140723
US-10238631-B2	Sesquiterpene derivatives and their use in inflammation or cancer treatment	20140607
US-2017182001-A1	Novel sesquiterpene derivatives and their use in inflammation or cancer treatment	20140607

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	152.02958605
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.02958605
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8