2-[(E)-2-phenylsulfanylethenyl]naphthalene

C18H14S — CID 122215934

IUPAC2-[(E)-2-phenylsulfanylethenyl]naphthalene
SMILESC(=C/c1ccc2ccccc2c1)\Sc1ccccc1
InChIInChI=1S/C18H14S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-14H/b13-12+
InChIKeyYMJLEVOIJUPAAM-OUKQBFOZSA-N
MW262.38 g/mol
LogP5.60
Rot. Bonds3

About 2-[(E)-2-phenylsulfanylethenyl]naphthalene

2-[(E)-2-phenylsulfanylethenyl]naphthalene (PubChem CID 122215934) has the molecular formula C18H14S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[(E)-2-phenylsulfanylethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-phenylsulfanylethenyl]naphthalene
PubChem CID122215934
Molecular FormulaC18H14S
Molecular Weight262.38 g/mol
Exact Mass262.08
IUPAC Name2-[(E)-2-phenylsulfanylethenyl]naphthalene
SMILESC(=C/c1ccc2ccccc2c1)\Sc1ccccc1
InChIInChI=1S/C18H14S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-14H/b13-12+
InChIKeyYMJLEVOIJUPAAM-OUKQBFOZSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylsulfanylethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-phenylsulfanylethenyl]naphthalene (CID 122215934) is 2-[(E)-2-phenylsulfanylethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-phenylsulfanylethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-phenylsulfanylethenyl]naphthalene is C(=C/c1ccc2ccccc2c1)\Sc1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylsulfanylethenyl]naphthalene?
The InChIKey is YMJLEVOIJUPAAM-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H14S/c1-2-8-18(9-3-1)19-13-12-15-10-11-16-6-4-5-7-17(16)14-15/h1-14H/b13-12+.
What are the key properties of 2-[(E)-2-phenylsulfanylethenyl]naphthalene?
2-[(E)-2-phenylsulfanylethenyl]naphthalene has a molecular weight of 262.38 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylsulfanylethenyl]naphthalene is sourced from PubChem (CID 122215934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).