1-phenylsulfanyl-4-propan-2-ylbenzene

C15H16S — CID 10656989

IUPAC1-phenylsulfanyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyQDGGKVQZQCHILQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.96
Rot. Bonds3

About 1-phenylsulfanyl-4-propan-2-ylbenzene

1-phenylsulfanyl-4-propan-2-ylbenzene (PubChem CID 10656989) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-phenylsulfanyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-phenylsulfanyl-4-propan-2-ylbenzene
PubChem CID10656989
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-phenylsulfanyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyQDGGKVQZQCHILQ-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanyl-4-propan-2-ylbenzene?
The IUPAC name of 1-phenylsulfanyl-4-propan-2-ylbenzene (CID 10656989) is 1-phenylsulfanyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-phenylsulfanyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-phenylsulfanyl-4-propan-2-ylbenzene is CC(C)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 1-phenylsulfanyl-4-propan-2-ylbenzene?
The InChIKey is QDGGKVQZQCHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of 1-phenylsulfanyl-4-propan-2-ylbenzene?
1-phenylsulfanyl-4-propan-2-ylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanyl-4-propan-2-ylbenzene is sourced from PubChem (CID 10656989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).