AG001HM5

14204-27-4 | 1H-ISOINDOLE-1,3(2H)-DIONE, 2-(PHENYLTHIO)-

AG001HM5

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CAS Number	14204-27-4
Catalog Number	AG001HM5(AGN-PC-04XEHG)
Chemical Name	1H-ISOINDOLE-1,3(2H)-DIONE, 2-(PHENYLTHIO)-
IUPAC Name	2-phenylsulfanylisoindole-1,3-dione
InChI	InChI=1S/C14H9NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h1-9H
InChI Key	NMHKBABHRKQHOL-UHFFFAOYSA-N
MDL Number	MFCD00192396
Molecular Formula	C14H9NO2S
Molecular Weight	255.2918
SMILES	O=C1c2c(C(=O)N1Sc1ccccc1)cccc2
Synonyms	N-(Phenylthio)phthalimide, 14204-27-4, 2-(Phenylthio)isoindoline-1,3-dione, 2-phenylsulfanylisoindole-1,3-dione, AC1NNU2T, AC1Q6FRR, ACMC-1BOT1, Oprea1_026778, Oprea1_393002, SCHEMBL809458, CTK4C2910, DTXSID50408577, N-(Phenylthio)phthalimide, 98%, NMHKBABHRKQHOL-UHFFFAOYSA-N, ZINC393071, ANW-20665, MFCD00192396, AKOS003619181, ACN-048952, MCULE-4683165813, TR-005394, 2-(Phenylthio)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione,2-(phenylthio)-, 1H-Isoindole-1,3(2H)-dione, 2-(phenylthio)-, 2-(Phenylsulfanyl)-1H-isoindole-1,3(2H)-dione, J-007584, 2-(phenylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione, N-(Cyclohexylthio)phthalimide, CID5127161, P1254, N-(Phenylthio)phthalimide, 98% - 25G 25g, 17796-82-6,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.035g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.291g/mol
Monoisotopic Mass	255.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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