[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene

C15H14S — CID 6381800

IUPAC[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
SMILESC/C(=C\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14S/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-12H,1H3/b13-12+
InChIKeyBEECUDNYDKTLEV-OUKQBFOZSA-N
MW226.34 g/mol
LogP4.84
Rot. Bonds3

About [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene

[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene (PubChem CID 6381800) has the molecular formula C15H14S and a molecular weight of 226.34 g/mol. Its IUPAC name is [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
PubChem CID6381800
Molecular FormulaC15H14S
Molecular Weight226.34 g/mol
Exact Mass226.08
IUPAC Name[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene
SMILESC/C(=C\c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14S/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-12H,1H3/b13-12+
InChIKeyBEECUDNYDKTLEV-OUKQBFOZSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl sulfide
CID 10867
Diphenyl sulfide
CID 8766
Mesulfen
CID 667491
Benzyl methyl sulfide
CID 13016
Benzene, ((phenylmethyl)sulfonyl)-,
CID 76561
p-Tolyl sulfoxide
CID 15680
Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1-methyl-4-(methylthio)-
CID 69334
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
Bis(2-methylphenyl) disulfide
CID 77652
Disulfide, bis(4-methylphenyl)
CID 66027
Thioxanthene
CID 67495

Frequently Asked Questions

What is the IUPAC name of [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene?
The IUPAC name of [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene (CID 6381800) is [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene is C/C(=C\c1ccccc1)Sc1ccccc1.
What is the InChIKey of [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene?
The InChIKey is BEECUDNYDKTLEV-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H14S/c1-13(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-12H,1H3/b13-12+.
What are the key properties of [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene?
[(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene has a molecular weight of 226.34 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-phenylprop-1-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 6381800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).