1H-Indole, 1-ethyl-3-(ethylthio)-

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Basic information

CAS: 98983-46-1
Standard SMILES: CCSc1cn(CC)c2ccccc12
InChIKey: CACKJCYLFIPFCE-UHFFFAOYSA-N
Molecular formula: C12H15NS
Average molar mass: 205.32 g/mol
Monoisotopic mass: 205.09252066

Names & identifiers

Preferred name: 1H-Indole, 1-ethyl-3-(ethylthio)-
IUPAC: 1-ethyl-3-ethylsulfanylindole

Names & synonyms

1H-INDOLE, 1-ETHYL-3-(ETHYLTHIO)-BRN 57377671-Ethyl-3-(ethylthio)-1H-indole98983-46-1DTXSID80243897RefChem:238699DTXCID101663881-Ethyl-3-(ethylsulfanyl)-1H-indole

Database identifiers

CAS: 98983-46-1
PubChem CID: 57466
DTXSID: DTXSID80243897

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 183

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Compound notes

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