[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium

C15H16NS+ — CID 135031239

IUPAC[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium
SMILES[NH3+][C@H]1c2ccccc2C[C@@H]1Sc1ccccc1
InChIInChI=1S/C15H15NS/c16-15-13-9-5-4-6-11(13)10-14(15)17-12-7-2-1-3-8-12/h1-9,14-15H,10,16H2/p+1/t14-,15-/m0/s1
InChIKeyMZAZNHBEJCUMPL-GJZGRUSLSA-O
MW242.37 g/mol
LogP2.69
Rot. Bonds2

About [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium

[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium (PubChem CID 135031239) has the molecular formula C15H16NS+ and a molecular weight of 242.37 g/mol. Its IUPAC name is [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium.

Molecular Properties

Compound Name[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium
PubChem CID135031239
Molecular FormulaC15H16NS+
Molecular Weight242.37 g/mol
Exact Mass242.10
IUPAC Name[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium
SMILES[NH3+][C@H]1c2ccccc2C[C@@H]1Sc1ccccc1
InChIInChI=1S/C15H15NS/c16-15-13-9-5-4-6-11(13)10-14(15)17-12-7-2-1-3-8-12/h1-9,14-15H,10,16H2/p+1/t14-,15-/m0/s1
InChIKeyMZAZNHBEJCUMPL-GJZGRUSLSA-O
XLogP2.69
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium?
The IUPAC name of [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium (CID 135031239) is [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium.
What is the SMILES notation for [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium?
The canonical SMILES for [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium is [NH3+][C@H]1c2ccccc2C[C@@H]1Sc1ccccc1.
What is the InChIKey of [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium?
The InChIKey is MZAZNHBEJCUMPL-GJZGRUSLSA-O. The full InChI is InChI=1S/C15H15NS/c16-15-13-9-5-4-6-11(13)10-14(15)17-12-7-2-1-3-8-12/h1-9,14-15H,10,16H2/p+1/t14-,15-/m0/s1.
What are the key properties of [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium?
[(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium has a molecular weight of 242.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-phenylsulfanyl-2,3-dihydro-1H-inden-1-yl]azanium is sourced from PubChem (CID 135031239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).