1-phenyl-4-propan-2-ylsulfanylbenzene

C15H16S — CID 15570401

IUPAC1-phenyl-4-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyFFUBDYLPVRAMFY-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.85
Rot. Bonds3

About 1-phenyl-4-propan-2-ylsulfanylbenzene

1-phenyl-4-propan-2-ylsulfanylbenzene (PubChem CID 15570401) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-phenyl-4-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-phenyl-4-propan-2-ylsulfanylbenzene
PubChem CID15570401
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-phenyl-4-propan-2-ylsulfanylbenzene
SMILESCC(C)Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyFFUBDYLPVRAMFY-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propan-2-ylsulfanylbenzene?
The IUPAC name of 1-phenyl-4-propan-2-ylsulfanylbenzene (CID 15570401) is 1-phenyl-4-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-phenyl-4-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1-phenyl-4-propan-2-ylsulfanylbenzene is CC(C)Sc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-propan-2-ylsulfanylbenzene?
The InChIKey is FFUBDYLPVRAMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-12(2)16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 1-phenyl-4-propan-2-ylsulfanylbenzene?
1-phenyl-4-propan-2-ylsulfanylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 15570401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).