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3-Phenylthio-2-phenylthiomethylindole

HCID 11046266
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(SCc2[nH]c3ccccc3c2Sc2ccccc2)cc1
InChIKey
RYGFKDVBHPRHMF-UHFFFAOYSA-N
Molecular formula
C21H17NS2
Average molar mass
347.5 g/mol

Names & identifiers

Preferred name
3-Phenylthio-2-phenylthiomethylindole
IUPAC
3-phenylsulfanyl-2-(phenylsulfanylmethyl)-1H-indole

Names & synonyms

SCHEMBL8938380RYGFKDVBHPRHMF-UHFFFAOYSA-N3-Phenylthio-2-phenylthiomethylindole

Database identifiers

PubChem CID
11046266

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
66.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
376

Related reactions

3 records
New reaction record
HRID 260463 reaction equation
HRID 260463As reactantuspto-grants-1996_06
HRID 316463 reaction equation
HRID 316463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 893300 reaction equation
HRID 893300As reactantuspto-grants-1992_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes