2-phenylsulfanyloxynaphthalene

C16H12OS — CID 102594920

IUPAC2-phenylsulfanyloxynaphthalene
SMILESc1ccc(SOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H12OS/c1-2-8-16(9-3-1)18-17-15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeyLTTWXUCDENDOSD-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.93
Rot. Bonds3

About 2-phenylsulfanyloxynaphthalene

2-phenylsulfanyloxynaphthalene (PubChem CID 102594920) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-phenylsulfanyloxynaphthalene.

Molecular Properties

Compound Name2-phenylsulfanyloxynaphthalene
PubChem CID102594920
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name2-phenylsulfanyloxynaphthalene
SMILESc1ccc(SOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C16H12OS/c1-2-8-16(9-3-1)18-17-15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeyLTTWXUCDENDOSD-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-phenylsulfanyloxybenzene
CID 150643936
3-phenylsulfanyloxyaniline
CID 144787948
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
anthracene;benzene;naphthalene
CID 142706236
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene
CID 142012365
2-ethoxynaphthalene
CID 118978197
2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
CID 141169012
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyloxynaphthalene?
The IUPAC name of 2-phenylsulfanyloxynaphthalene (CID 102594920) is 2-phenylsulfanyloxynaphthalene.
What is the SMILES notation for 2-phenylsulfanyloxynaphthalene?
The canonical SMILES for 2-phenylsulfanyloxynaphthalene is c1ccc(SOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-phenylsulfanyloxynaphthalene?
The InChIKey is LTTWXUCDENDOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c1-2-8-16(9-3-1)18-17-15-11-10-13-6-4-5-7-14(13)12-15/h1-12H.
What are the key properties of 2-phenylsulfanyloxynaphthalene?
2-phenylsulfanyloxynaphthalene has a molecular weight of 252.34 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyloxynaphthalene is sourced from PubChem (CID 102594920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).