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(R)-1-(4-Benzyl-2-thioxo-3-thiazolidinyl)ethanone

(R)-1-(4-Benzyl-2-thioxo-3-thiazolidinyl)ethanone - CAS 911040-42-1

Catalog:	BB040047
Product Name:	(R)-1-(4-Benzyl-2-thioxo-3-thiazolidinyl)ethanone
CAS:	911040-42-1
Synonyms:	1-[(4R)-4-(phenylmethyl)-2-sulfanylidene-3-thiazolidinyl]ethanone; 1-[(4R)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[(4R)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
Description:	(R)-1-(4-Benzyl-2-thioxo-3-thiazolidinyl)ethanone (CAS# 911040-42-1 ) is a useful research chemical.
Molecular Weight:	251.37
Molecular Formula:	C12H13NOS2
Canonical SMILES:	CC(=O)N1C(CSC1=S)CC2=CC=CC=C2
InChI:	InChI=1S/C12H13NOS2/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
InChI Key:	SHIOICUNOVAZNH-LLVKDONJSA-N

Publication Number	Title	Priority Date
US-10676504-B2	Method for preparing largazole analogs and uses thereof	20150306
US-2018044376-A1	Method for Preparing Largazole Analogs and Uses Thereof	20150306
EP-3578179-A1	Process for the preparation of cyclic depsipeptides	20140527
JP-2019142868-A	Method for preparing cyclic depsipeptide	20140527
US-10100089-B2	Process for the preparation of cyclic depsipeptides	20140527

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Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	251.04385639
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.04385639
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8