1-phenylethylsulfanylbenzene

C14H14S — CID 570103

IUPAC1-phenylethylsulfanylbenzene
SMILESCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyXVVPHBZLSYKWQU-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.54
Rot. Bonds3

About 1-phenylethylsulfanylbenzene

1-phenylethylsulfanylbenzene (PubChem CID 570103) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-phenylethylsulfanylbenzene.

Molecular Properties

Compound Name1-phenylethylsulfanylbenzene
PubChem CID570103
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name1-phenylethylsulfanylbenzene
SMILESCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyXVVPHBZLSYKWQU-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylethylsulfanylbenzene?
The IUPAC name of 1-phenylethylsulfanylbenzene (CID 570103) is 1-phenylethylsulfanylbenzene.
What is the SMILES notation for 1-phenylethylsulfanylbenzene?
The canonical SMILES for 1-phenylethylsulfanylbenzene is CC(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethylsulfanylbenzene?
The InChIKey is XVVPHBZLSYKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-12(13-8-4-2-5-9-13)15-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 1-phenylethylsulfanylbenzene?
1-phenylethylsulfanylbenzene has a molecular weight of 214.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethylsulfanylbenzene is sourced from PubChem (CID 570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).