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N- (Cyclohexylthio) phthalimide

CAT: 0024-sc-487011Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487011Size:25 g
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CAS Number
17796-82-6

Chemical Information

2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione

water pollutant

CAS Number17796-82-6
PubChem CID28777
IUPAC Name2-cyclohexylsulfanylisoindole-1,3-dione
Molecular FormulaC14H15NO2S
Molecular Weight261.34
XLogP2.7
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity328
SMILES
C1CCC(CC1)SN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey
UEZWYKZHXASYJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CAS: 17796-82-6
CID: 28777
Formula: C14H15NO2S
MW: 261.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.34
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass261.08234989
Monoisotopic Mass261.08234989
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

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