N-[(2-Cyanoethyl)thio]phthalimide - CAS 88683-57-2

Catalog:	BB039149
Product Name:	N-[(2-Cyanoethyl)thio]phthalimide
CAS:	88683-57-2
Synonyms:	3-[(1,3-dioxo-2-isoindolyl)thio]propanenitrile; 3-(1,3-dioxoisoindol-2-yl)sulfanylpropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	3-(1,3-dioxoisoindol-2-yl)sulfanylpropanenitrile
Description:	N-[(2-Cyanoethyl)thio]phthalimide (CAS# 88683-57-2 ) is a useful research chemical.
Molecular Weight:	232.26
Molecular Formula:	C11H8N2O2S
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)SCCC#N
InChI:	InChI=1S/C11H8N2O2S/c12-6-3-7-16-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,7H2
InChI Key:	MVZDBGUIRMGSOY-UHFFFAOYSA-N
Boiling Point:	454.1 °C at 760 mmHg
Density:	1.43 g/cm³
LogP:	1.78238

Publication Number	Title	Priority Date
WO-2020196890-A1	Method for producing oligonucleotide having phosphorothioate site	20190328
JP-WO2018212236-A1	Method for producing oligonucleotide	20170516
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TW-201906855-A	Oligonucleotide manufacturing method	20170502

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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[1383427-98-2]
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[956439-56-8]
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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.03064868
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.03064868
Rotatable Bond Count:	3
Topological Polar Surface Area:	86.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6