1-phenylsulfanylpropylsulfanylbenzene

C15H16S2 — CID 4257234

IUPAC1-phenylsulfanylpropylsulfanylbenzene
SMILESCCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16S2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyIBSAFINTMWCSTH-UHFFFAOYSA-N
MW260.43 g/mol
LogP5.31
Rot. Bonds5

About 1-phenylsulfanylpropylsulfanylbenzene

1-phenylsulfanylpropylsulfanylbenzene (PubChem CID 4257234) has the molecular formula C15H16S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-phenylsulfanylpropylsulfanylbenzene.

Molecular Properties

Compound Name1-phenylsulfanylpropylsulfanylbenzene
PubChem CID4257234
Molecular FormulaC15H16S2
Molecular Weight260.43 g/mol
Exact Mass260.07
IUPAC Name1-phenylsulfanylpropylsulfanylbenzene
SMILESCCC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H16S2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyIBSAFINTMWCSTH-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylpropylsulfanylbenzene?
The IUPAC name of 1-phenylsulfanylpropylsulfanylbenzene (CID 4257234) is 1-phenylsulfanylpropylsulfanylbenzene.
What is the SMILES notation for 1-phenylsulfanylpropylsulfanylbenzene?
The canonical SMILES for 1-phenylsulfanylpropylsulfanylbenzene is CCC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 1-phenylsulfanylpropylsulfanylbenzene?
The InChIKey is IBSAFINTMWCSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S2/c1-2-15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of 1-phenylsulfanylpropylsulfanylbenzene?
1-phenylsulfanylpropylsulfanylbenzene has a molecular weight of 260.43 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylpropylsulfanylbenzene is sourced from PubChem (CID 4257234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).