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N- (Phenylthio) phthalimide

CAT: 0024-sc-228646Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-228646Size:5 g
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CAS Number
14204-27-4

Chemical Information

N-(Phenylthio)phthalimide
CAS Number14204-27-4
PubChem CID5127161
IUPAC Name2-phenylsulfanylisoindole-1,3-dione
Molecular FormulaC14H9NO2S
Molecular Weight255.29
XLogP2.5
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity328
SMILES
C1=CC=C(C=C1)SN2C(=O)C3=CC=CC=C3C2=O
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
InChIKey
NMHKBABHRKQHOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(Phenylthio)phthalimide
CAS: 14204-27-4
CID: 5127161
Formula: C14H9NO2S
MW: 255.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight255.29
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass255.03539970
Monoisotopic Mass255.03539970
Topological Polar Surface Area62.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes