4-phenylsulfanyl-1,2-dihydronaphthalene

C16H14S — CID 11064465

IUPAC4-phenylsulfanyl-1,2-dihydronaphthalene
SMILESC1=C(Sc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-12H,6,8H2
InChIKeyWSKBUZMXAGCBOA-UHFFFAOYSA-N
MW238.36 g/mol
LogP4.77
Rot. Bonds2

About 4-phenylsulfanyl-1,2-dihydronaphthalene

4-phenylsulfanyl-1,2-dihydronaphthalene (PubChem CID 11064465) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-phenylsulfanyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-phenylsulfanyl-1,2-dihydronaphthalene
PubChem CID11064465
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name4-phenylsulfanyl-1,2-dihydronaphthalene
SMILESC1=C(Sc2ccccc2)c2ccccc2CC1
InChIInChI=1S/C16H14S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-5,7,9-12H,6,8H2
InChIKeyWSKBUZMXAGCBOA-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1,2-dihydronaphthalene?
The IUPAC name of 4-phenylsulfanyl-1,2-dihydronaphthalene (CID 11064465) is 4-phenylsulfanyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-phenylsulfanyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-phenylsulfanyl-1,2-dihydronaphthalene is C1=C(Sc2ccccc2)c2ccccc2CC1.
What is the InChIKey of 4-phenylsulfanyl-1,2-dihydronaphthalene?
The InChIKey is WSKBUZMXAGCBOA-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/h1-5,7,9-12H,6,8H2.
What are the key properties of 4-phenylsulfanyl-1,2-dihydronaphthalene?
4-phenylsulfanyl-1,2-dihydronaphthalene has a molecular weight of 238.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1,2-dihydronaphthalene is sourced from PubChem (CID 11064465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).