1,8-bis(phenylsulfanylmethyl)naphthalene

C24H20S2 — CID 10883224

IUPAC1,8-bis(phenylsulfanylmethyl)naphthalene
SMILESc1ccc(SCc2cccc3cccc(CSc4ccccc4)c23)cc1
InChIInChI=1S/C24H20S2/c1-3-13-22(14-4-1)25-17-20-11-7-9-19-10-8-12-21(24(19)20)18-26-23-15-5-2-6-16-23/h1-16H,17-18H2
InChIKeyGLEBWHLBCAWSAW-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.42
Rot. Bonds6

About 1,8-bis(phenylsulfanylmethyl)naphthalene

1,8-bis(phenylsulfanylmethyl)naphthalene (PubChem CID 10883224) has the molecular formula C24H20S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1,8-bis(phenylsulfanylmethyl)naphthalene.

Molecular Properties

Compound Name1,8-bis(phenylsulfanylmethyl)naphthalene
PubChem CID10883224
Molecular FormulaC24H20S2
Molecular Weight372.56 g/mol
Exact Mass372.10
IUPAC Name1,8-bis(phenylsulfanylmethyl)naphthalene
SMILESc1ccc(SCc2cccc3cccc(CSc4ccccc4)c23)cc1
InChIInChI=1S/C24H20S2/c1-3-13-22(14-4-1)25-17-20-11-7-9-19-10-8-12-21(24(19)20)18-26-23-15-5-2-6-16-23/h1-16H,17-18H2
InChIKeyGLEBWHLBCAWSAW-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-bis(phenylsulfanylmethyl)naphthalene?
The IUPAC name of 1,8-bis(phenylsulfanylmethyl)naphthalene (CID 10883224) is 1,8-bis(phenylsulfanylmethyl)naphthalene.
What is the SMILES notation for 1,8-bis(phenylsulfanylmethyl)naphthalene?
The canonical SMILES for 1,8-bis(phenylsulfanylmethyl)naphthalene is c1ccc(SCc2cccc3cccc(CSc4ccccc4)c23)cc1.
What is the InChIKey of 1,8-bis(phenylsulfanylmethyl)naphthalene?
The InChIKey is GLEBWHLBCAWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20S2/c1-3-13-22(14-4-1)25-17-20-11-7-9-19-10-8-12-21(24(19)20)18-26-23-15-5-2-6-16-23/h1-16H,17-18H2.
What are the key properties of 1,8-bis(phenylsulfanylmethyl)naphthalene?
1,8-bis(phenylsulfanylmethyl)naphthalene has a molecular weight of 372.56 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(phenylsulfanylmethyl)naphthalene is sourced from PubChem (CID 10883224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).