2-phenylpropylsulfanylbenzene

C15H16S — CID 11020652

IUPAC2-phenylpropylsulfanylbenzene
SMILESCC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyCKBQBEFBCLNOLV-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.58
Rot. Bonds4

About 2-phenylpropylsulfanylbenzene

2-phenylpropylsulfanylbenzene (PubChem CID 11020652) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-phenylpropylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylpropylsulfanylbenzene
PubChem CID11020652
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-phenylpropylsulfanylbenzene
SMILESCC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyCKBQBEFBCLNOLV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropylsulfanylbenzene?
The IUPAC name of 2-phenylpropylsulfanylbenzene (CID 11020652) is 2-phenylpropylsulfanylbenzene.
What is the SMILES notation for 2-phenylpropylsulfanylbenzene?
The canonical SMILES for 2-phenylpropylsulfanylbenzene is CC(CSc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylpropylsulfanylbenzene?
The InChIKey is CKBQBEFBCLNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-13(14-8-4-2-5-9-14)12-16-15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-phenylpropylsulfanylbenzene?
2-phenylpropylsulfanylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropylsulfanylbenzene is sourced from PubChem (CID 11020652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).