2-phenylpropan-2-ylsulfanylbenzene

C15H16S — CID 576894

IUPAC2-phenylpropan-2-ylsulfanylbenzene
SMILESCC(C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-15(2,13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyZOABXTJWWVGXAM-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.71
Rot. Bonds3

About 2-phenylpropan-2-ylsulfanylbenzene

2-phenylpropan-2-ylsulfanylbenzene (PubChem CID 576894) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-phenylpropan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name2-phenylpropan-2-ylsulfanylbenzene
PubChem CID576894
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-phenylpropan-2-ylsulfanylbenzene
SMILESCC(C)(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16S/c1-15(2,13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyZOABXTJWWVGXAM-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-ylsulfanylbenzene?
The IUPAC name of 2-phenylpropan-2-ylsulfanylbenzene (CID 576894) is 2-phenylpropan-2-ylsulfanylbenzene.
What is the SMILES notation for 2-phenylpropan-2-ylsulfanylbenzene?
The canonical SMILES for 2-phenylpropan-2-ylsulfanylbenzene is CC(C)(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-ylsulfanylbenzene?
The InChIKey is ZOABXTJWWVGXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-15(2,13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 2-phenylpropan-2-ylsulfanylbenzene?
2-phenylpropan-2-ylsulfanylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-ylsulfanylbenzene is sourced from PubChem (CID 576894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).