N-(-3-Acetylthiopropyl)phthalimide - CAS 221218-66-2

Catalog:	BB017398
Product Name:	N-(-3-Acetylthiopropyl)phthalimide
CAS:	221218-66-2
Synonyms:	S-[3-(1,3-dioxoisoindol-2-yl)propyl] ethanethioate

Technical Data

Patents

Computed Properties

IUPAC Name:	S-[3-(1,3-dioxoisoindol-2-yl)propyl] ethanethioate
Description:	N-(-3-Acetylthiopropyl)phthalimide (CAS# 221218-66-2 ) is a useful research chemical.
Molecular Weight:	263.31
Molecular Formula:	C13H13NO3S
Canonical SMILES:	CC(=O)SCCCN1C(=O)C2=CC=CC=C2C1=O
InChI:	InChI=1S/C13H13NO3S/c1-9(15)18-8-4-7-14-12(16)10-5-2-3-6-11(10)13(14)17/h2-3,5-6H,4,7-8H2,1H3
InChI Key:	QDCSBRSBDZXURK-UHFFFAOYSA-N
Boiling Point:	406.1 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD00189168
LogP:	1.89030

Publication Number	Title	Priority Date
US-2020255385-A1	Hydantoin containing deoxyuridine triphosphatase inhibitors	20150708
AU-2011341441-A1	Modulators of histone methyltransferase, and methods of use thereof	20101203
CA-2819620-A1	Modulators of histone methyltransferase, and methods of use thereof	20101203
EP-2646455-A2	Modulators of histone methyltransferase, and methods of use thereof	20101203
US-2013310333-A1	Modulators of Histone Methyltransferase, and Methods of Use Thereof	20101203

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One

Complexity:	345
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.06161445
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.06161445
Rotatable Bond Count:	5
Topological Polar Surface Area:	79.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3