[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene

C16H16S — CID 13030774

IUPAC[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
SMILESCC(/C=C/c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16S/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
InChIKeyWWBVSEVXLYSDCS-OUKQBFOZSA-N
MW240.37 g/mol
LogP4.88
Rot. Bonds4

About [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene

[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene (PubChem CID 13030774) has the molecular formula C16H16S and a molecular weight of 240.37 g/mol. Its IUPAC name is [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
PubChem CID13030774
Molecular FormulaC16H16S
Molecular Weight240.37 g/mol
Exact Mass240.10
IUPAC Name[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
SMILESCC(/C=C/c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16S/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+
InChIKeyWWBVSEVXLYSDCS-OUKQBFOZSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene?
The IUPAC name of [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene (CID 13030774) is [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene is CC(/C=C/c1ccccc1)Sc1ccccc1.
What is the InChIKey of [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene?
The InChIKey is WWBVSEVXLYSDCS-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H16S/c1-14(17-16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-14H,1H3/b13-12+.
What are the key properties of [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene?
[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene has a molecular weight of 240.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 13030774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).