1-(2-phenylsulfanylethynyl)naphthalene

C18H12S — CID 141231392

IUPAC1-(2-phenylsulfanylethynyl)naphthalene
SMILESC(#Cc1cccc2ccccc12)Sc1ccccc1
InChIInChI=1S/C18H12S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H
InChIKeyDKRVIYBIQSYTBD-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.94
Rot. Bonds1

About 1-(2-phenylsulfanylethynyl)naphthalene

1-(2-phenylsulfanylethynyl)naphthalene (PubChem CID 141231392) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethynyl)naphthalene.

Molecular Properties

Compound Name1-(2-phenylsulfanylethynyl)naphthalene
PubChem CID141231392
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name1-(2-phenylsulfanylethynyl)naphthalene
SMILESC(#Cc1cccc2ccccc12)Sc1ccccc1
InChIInChI=1S/C18H12S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H
InChIKeyDKRVIYBIQSYTBD-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
CID 138857608
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
3-naphthalen-1-ylprop-2-ynenitrile
CID 116791050
1-(2-phenylselanylethynyl)naphthalene
CID 11522394
2-bromo-1-(2-naphthalen-1-ylethynyl)naphthalene
CID 90180445
N,N-diethyl-4-(2-naphthalen-1-ylethynyl)aniline
CID 118606008
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
CID 102396235
potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
CID 135083871
3-(2-naphthalen-1-ylethynyl)pyridine
CID 18947806

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethynyl)naphthalene?
The IUPAC name of 1-(2-phenylsulfanylethynyl)naphthalene (CID 141231392) is 1-(2-phenylsulfanylethynyl)naphthalene.
What is the SMILES notation for 1-(2-phenylsulfanylethynyl)naphthalene?
The canonical SMILES for 1-(2-phenylsulfanylethynyl)naphthalene is C(#Cc1cccc2ccccc12)Sc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylethynyl)naphthalene?
The InChIKey is DKRVIYBIQSYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H.
What are the key properties of 1-(2-phenylsulfanylethynyl)naphthalene?
1-(2-phenylsulfanylethynyl)naphthalene has a molecular weight of 260.36 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethynyl)naphthalene is sourced from PubChem (CID 141231392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).