2-phenylsulfanyl-1H-indole

C14H11NS — CID 821198

IUPAC2-phenylsulfanyl-1H-indole
SMILESc1ccc(Sc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11NS/c1-2-7-12(8-3-1)16-14-10-11-6-4-5-9-13(11)15-14/h1-10,15H
InChIKeyFWYRWEJVTFYFPK-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.32
Rot. Bonds2

About 2-phenylsulfanyl-1H-indole

2-phenylsulfanyl-1H-indole (PubChem CID 821198) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-phenylsulfanyl-1H-indole.

Molecular Properties

Compound Name2-phenylsulfanyl-1H-indole
PubChem CID821198
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-phenylsulfanyl-1H-indole
SMILESc1ccc(Sc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11NS/c1-2-7-12(8-3-1)16-14-10-11-6-4-5-9-13(11)15-14/h1-10,15H
InChIKeyFWYRWEJVTFYFPK-UHFFFAOYSA-N
XLogP4.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1H-indole?
The IUPAC name of 2-phenylsulfanyl-1H-indole (CID 821198) is 2-phenylsulfanyl-1H-indole.
What is the SMILES notation for 2-phenylsulfanyl-1H-indole?
The canonical SMILES for 2-phenylsulfanyl-1H-indole is c1ccc(Sc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1H-indole?
The InChIKey is FWYRWEJVTFYFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-2-7-12(8-3-1)16-14-10-11-6-4-5-9-13(11)15-14/h1-10,15H.
What are the key properties of 2-phenylsulfanyl-1H-indole?
2-phenylsulfanyl-1H-indole has a molecular weight of 225.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1H-indole is sourced from PubChem (CID 821198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).