5-(Phenylsulfanyl)-1H-indole

HCID 19042829

Notes Reactions

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Basic information

CAS: 163258-14-8
Standard SMILES: c1ccc(Sc2ccc3[nH]ccc3c2)cc1
InChIKey: JWKLGYLUESHRJH-UHFFFAOYSA-N
Molecular formula: C14H11NS
Average molar mass: 225.31 g/mol
Monoisotopic mass: 225.06122053

Names & identifiers

Preferred name: 5-(Phenylsulfanyl)-1H-indole
IUPAC: 5-phenylsulfanyl-1H-indole
English name: 5-(phenylsulfanyl)indole
Molecular formula: C14H11NS
Molecular weight: 225.31

Names & synonyms

5-(Phenylsulfanyl)-1H-indole163258-14-8DTXSID80597660RefChem:300620DTXCID305484205-phenylsulfanyl-1H-indole5-phenylthioindoleSCHEMBL2889663JWKLGYLUESHRJH-UHFFFAOYSA-N5-(phenylsulfanyl)indole1H-Indole, 5-(phenylthio)-

Database identifiers

CAS: 163258-14-8
PubChem CID: 19042829
DTXSID: DTXSID80597660
Nikkaji: J2.119.121C

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Chemistry & industry

Suppliers1 total

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Related reactions

2 records

New reaction record

HRID 693596As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1683291As reactantuspto-grants-1997_06

Compound notes

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