pent-3-en-2-ylsulfanylbenzene

C11H14S — CID 71350028

IUPACpent-3-en-2-ylsulfanylbenzene
SMILESCC=CC(C)Sc1ccccc1
InChIInChI=1S/C11H14S/c1-3-7-10(2)12-11-8-5-4-6-9-11/h3-10H,1-2H3
InChIKeyCFZSIULKNVDJCP-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.74
Rot. Bonds3

About pent-3-en-2-ylsulfanylbenzene

pent-3-en-2-ylsulfanylbenzene (PubChem CID 71350028) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is pent-3-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Namepent-3-en-2-ylsulfanylbenzene
PubChem CID71350028
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Namepent-3-en-2-ylsulfanylbenzene
SMILESCC=CC(C)Sc1ccccc1
InChIInChI=1S/C11H14S/c1-3-7-10(2)12-11-8-5-4-6-9-11/h3-10H,1-2H3
InChIKeyCFZSIULKNVDJCP-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E,2R)-pent-3-en-2-yl]sulfanylbenzene
CID 10998347
4-methoxybut-3-en-2-ylsulfanylbenzene
CID 131869014
[(5E)-hepta-1,5-dien-4-yl]sulfanylbenzene
CID 10632029
1-methyl-4-[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
CID 135039325
(2E,4E)-2-(N-methylanilino)-6-phenylsulfanylhepta-2,4-dienenitrile
CID 10041702
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
CID 10894428
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine
CID 14950980
2-phenylsulfanylpropanenitrile
CID 10986577

Frequently Asked Questions

What is the IUPAC name of pent-3-en-2-ylsulfanylbenzene?
The IUPAC name of pent-3-en-2-ylsulfanylbenzene (CID 71350028) is pent-3-en-2-ylsulfanylbenzene.
What is the SMILES notation for pent-3-en-2-ylsulfanylbenzene?
The canonical SMILES for pent-3-en-2-ylsulfanylbenzene is CC=CC(C)Sc1ccccc1.
What is the InChIKey of pent-3-en-2-ylsulfanylbenzene?
The InChIKey is CFZSIULKNVDJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-3-7-10(2)12-11-8-5-4-6-9-11/h3-10H,1-2H3.
What are the key properties of pent-3-en-2-ylsulfanylbenzene?
pent-3-en-2-ylsulfanylbenzene has a molecular weight of 178.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-en-2-ylsulfanylbenzene is sourced from PubChem (CID 71350028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).