2-(3-(phenylthio)propyl)-1H-isoindole-1,3(2H)-dione

HCID 265185

Basic information

CAS
85053-10-7
Standard SMILES
O=C1c2ccccc2C(=O)N1CCCSc1ccccc1
InChIKey
BYUIXCDIRNBWLK-UHFFFAOYSA-N
Molecular formula
C17H15NO2S
Average molar mass
297.4 g/mol
Monoisotopic mass
297.08234972

Names & identifiers

Preferred name
2-(3-(phenylthio)propyl)-1H-isoindole-1,3(2H)-dione
IUPAC
2-(3-phenylsulfanylpropyl)isoindole-1,3-dione

Names & synonyms

NSC10102385053-10-72-(3-(phenylthio)propyl)-1H-isoindole-1,3(2H)-dioneNSC-1010232-[3-(phenylthio)propyl]-1H-isoindole-1,3(2H)-dioneNCIStruc1_000931NCIStruc2_000743CHEMBL1593889SCHEMBL10458108DTXSID20295294BYUIXCDIRNBWLK-UHFFFAOYSA-NCCG-36267
Show more names
NCGC00014054NCI101023NCGC00014054-02NCGC00097163-01NCI60_0000302-[3-(Phenylthio)propyl]-1H-isoindole-1,3-(2H)dione2-[3-(phenylsulfanyl)propyl]-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS
85053-10-7
PubChem CID
265185
DTXSID
DTXSID20295294
ChEMBL
CHEMBL1593889
Nikkaji
J1.244.923B

Properties

Computed structural properties

XLogP
4
Topological polar surface area
62.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
21

Related reactions

4 records

Compound notes

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