5-phenylsulfanyl-1,4-dihydronaphthalene

C16H14S — CID 14173374

IUPAC5-phenylsulfanyl-1,4-dihydronaphthalene
SMILESC1=CCc2c(cccc2Sc2ccccc2)C1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-6,8-10,12H,7,11H2
InChIKeySECJZWAQKMJTSE-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.49
Rot. Bonds2

About 5-phenylsulfanyl-1,4-dihydronaphthalene

5-phenylsulfanyl-1,4-dihydronaphthalene (PubChem CID 14173374) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-phenylsulfanyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5-phenylsulfanyl-1,4-dihydronaphthalene
PubChem CID14173374
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name5-phenylsulfanyl-1,4-dihydronaphthalene
SMILESC1=CCc2c(cccc2Sc2ccccc2)C1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-6,8-10,12H,7,11H2
InChIKeySECJZWAQKMJTSE-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanyl-1,4-dihydronaphthalene?
The IUPAC name of 5-phenylsulfanyl-1,4-dihydronaphthalene (CID 14173374) is 5-phenylsulfanyl-1,4-dihydronaphthalene.
What is the SMILES notation for 5-phenylsulfanyl-1,4-dihydronaphthalene?
The canonical SMILES for 5-phenylsulfanyl-1,4-dihydronaphthalene is C1=CCc2c(cccc2Sc2ccccc2)C1.
What is the InChIKey of 5-phenylsulfanyl-1,4-dihydronaphthalene?
The InChIKey is SECJZWAQKMJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-6,8-10,12H,7,11H2.
What are the key properties of 5-phenylsulfanyl-1,4-dihydronaphthalene?
5-phenylsulfanyl-1,4-dihydronaphthalene has a molecular weight of 238.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanyl-1,4-dihydronaphthalene is sourced from PubChem (CID 14173374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).