1-phenyl-4-propylsulfanylbenzene

C15H16S — CID 22897588

IUPAC1-phenyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyFCZXRDFVTULADN-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.86
Rot. Bonds4

About 1-phenyl-4-propylsulfanylbenzene

1-phenyl-4-propylsulfanylbenzene (PubChem CID 22897588) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-phenyl-4-propylsulfanylbenzene.

Molecular Properties

Compound Name1-phenyl-4-propylsulfanylbenzene
PubChem CID22897588
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-phenyl-4-propylsulfanylbenzene
SMILESCCCSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyFCZXRDFVTULADN-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propylsulfanylbenzene?
The IUPAC name of 1-phenyl-4-propylsulfanylbenzene (CID 22897588) is 1-phenyl-4-propylsulfanylbenzene.
What is the SMILES notation for 1-phenyl-4-propylsulfanylbenzene?
The canonical SMILES for 1-phenyl-4-propylsulfanylbenzene is CCCSc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-propylsulfanylbenzene?
The InChIKey is FCZXRDFVTULADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-2-12-16-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-phenyl-4-propylsulfanylbenzene?
1-phenyl-4-propylsulfanylbenzene has a molecular weight of 228.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propylsulfanylbenzene is sourced from PubChem (CID 22897588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).