1-phenylsulfanyloxynaphthalene

C16H12OS — CID 174251296

IUPAC1-phenylsulfanyloxynaphthalene
SMILESc1ccc(SOc2cccc3ccccc23)cc1
InChIInChI=1S/C16H12OS/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyFKIKXDMHXNKVHR-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.93
Rot. Bonds3

About 1-phenylsulfanyloxynaphthalene

1-phenylsulfanyloxynaphthalene (PubChem CID 174251296) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-phenylsulfanyloxynaphthalene.

Molecular Properties

Compound Name1-phenylsulfanyloxynaphthalene
PubChem CID174251296
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name1-phenylsulfanyloxynaphthalene
SMILESc1ccc(SOc2cccc3ccccc23)cc1
InChIInChI=1S/C16H12OS/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyFKIKXDMHXNKVHR-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-(trifluoromethylsulfanyloxy)naphthalene
CID 175533116
dinaphthalen-1-yloxymethanethione
CID 22635249
benzene;naphthalen-1-yloxymethanol
CID 70447137
(E)-dinaphthalen-1-yloxydiazene
CID 67562548
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
O-naphthalen-1-yl methylsulfanylmethanethioate
CID 58882717
dinaphthalen-1-yl phenyl phosphite
CID 11575113
methanol;1-methoxynaphthalene;neptunium
CID 157299455
1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
CID 139725351
1-(3-chloropropoxy)naphthalene
CID 12685615
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
lithium;1-ethoxynaphthalene;hydride
CID 174613942

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyloxynaphthalene?
The IUPAC name of 1-phenylsulfanyloxynaphthalene (CID 174251296) is 1-phenylsulfanyloxynaphthalene.
What is the SMILES notation for 1-phenylsulfanyloxynaphthalene?
The canonical SMILES for 1-phenylsulfanyloxynaphthalene is c1ccc(SOc2cccc3ccccc23)cc1.
What is the InChIKey of 1-phenylsulfanyloxynaphthalene?
The InChIKey is FKIKXDMHXNKVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c1-2-9-14(10-3-1)18-17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 1-phenylsulfanyloxynaphthalene?
1-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 1-phenylsulfanyloxynaphthalene is sourced from PubChem (CID 174251296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).