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

C18H14S — CID 11108147

IUPAC1-[(E)-2-phenylsulfanylethenyl]naphthalene
SMILESC(=C/c1cccc2ccccc12)\Sc1ccccc1
InChIInChI=1S/C18H14S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-14H/b14-13+
InChIKeySHGXAMVZALKGFX-BUHFOSPRSA-N
MW262.38 g/mol
LogP5.60
Rot. Bonds3

About 1-[(E)-2-phenylsulfanylethenyl]naphthalene

1-[(E)-2-phenylsulfanylethenyl]naphthalene (PubChem CID 11108147) has the molecular formula C18H14S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[(E)-2-phenylsulfanylethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-phenylsulfanylethenyl]naphthalene
PubChem CID11108147
Molecular FormulaC18H14S
Molecular Weight262.38 g/mol
Exact Mass262.08
IUPAC Name1-[(E)-2-phenylsulfanylethenyl]naphthalene
SMILESC(=C/c1cccc2ccccc12)\Sc1ccccc1
InChIInChI=1S/C18H14S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-14H/b14-13+
InChIKeySHGXAMVZALKGFX-BUHFOSPRSA-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 1-[(E)-2-phenylsulfanylethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-phenylsulfanylethenyl]naphthalene (CID 11108147) is 1-[(E)-2-phenylsulfanylethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-phenylsulfanylethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-phenylsulfanylethenyl]naphthalene is C(=C/c1cccc2ccccc12)\Sc1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylsulfanylethenyl]naphthalene?
The InChIKey is SHGXAMVZALKGFX-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H14S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-14H/b14-13+.
What are the key properties of 1-[(E)-2-phenylsulfanylethenyl]naphthalene?
1-[(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 1-[(E)-2-phenylsulfanylethenyl]naphthalene is sourced from PubChem (CID 11108147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).