4-phenylsulfanylnaphthalen-1-amine

C16H13NS — CID 21454455

IUPAC4-phenylsulfanylnaphthalen-1-amine
SMILESNc1ccc(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NS/c17-15-10-11-16(14-9-5-4-8-13(14)15)18-12-6-2-1-3-7-12/h1-11H,17H2
InChIKeyFIPYRWJPQYBAOD-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.57
Rot. Bonds2

About 4-phenylsulfanylnaphthalen-1-amine

4-phenylsulfanylnaphthalen-1-amine (PubChem CID 21454455) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-phenylsulfanylnaphthalen-1-amine.

Molecular Properties

Compound Name4-phenylsulfanylnaphthalen-1-amine
PubChem CID21454455
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name4-phenylsulfanylnaphthalen-1-amine
SMILESNc1ccc(Sc2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NS/c17-15-10-11-16(14-9-5-4-8-13(14)15)18-12-6-2-1-3-7-12/h1-11H,17H2
InChIKeyFIPYRWJPQYBAOD-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanylnaphthalen-1-amine?
The IUPAC name of 4-phenylsulfanylnaphthalen-1-amine (CID 21454455) is 4-phenylsulfanylnaphthalen-1-amine.
What is the SMILES notation for 4-phenylsulfanylnaphthalen-1-amine?
The canonical SMILES for 4-phenylsulfanylnaphthalen-1-amine is Nc1ccc(Sc2ccccc2)c2ccccc12.
What is the InChIKey of 4-phenylsulfanylnaphthalen-1-amine?
The InChIKey is FIPYRWJPQYBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c17-15-10-11-16(14-9-5-4-8-13(14)15)18-12-6-2-1-3-7-12/h1-11H,17H2.
What are the key properties of 4-phenylsulfanylnaphthalen-1-amine?
4-phenylsulfanylnaphthalen-1-amine has a molecular weight of 251.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanylnaphthalen-1-amine is sourced from PubChem (CID 21454455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).