1-ethylsulfanyl-4-prop-2-enylbenzene

C11H14S — CID 2758925

IUPAC1-ethylsulfanyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(SCC)cc1
InChIInChI=1S/C11H14S/c1-3-5-10-6-8-11(9-7-10)12-4-2/h3,6-9H,1,4-5H2,2H3
InChIKeyUXGPCKKPJOLADH-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.53
Rot. Bonds4

About 1-ethylsulfanyl-4-prop-2-enylbenzene

1-ethylsulfanyl-4-prop-2-enylbenzene (PubChem CID 2758925) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-prop-2-enylbenzene
PubChem CID2758925
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name1-ethylsulfanyl-4-prop-2-enylbenzene
SMILESC=CCc1ccc(SCC)cc1
InChIInChI=1S/C11H14S/c1-3-5-10-6-8-11(9-7-10)12-4-2/h3,6-9H,1,4-5H2,2H3
InChIKeyUXGPCKKPJOLADH-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.53
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-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
1-ethylsulfanyl-4-hex-5-enylbenzene
CID 143817535
(4-ethylsulfanylphenyl)methanamine
CID 12842467
1-ethylsulfanyl-4-hex-5-en-3-ylbenzene
CID 83935882
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-chloro-4-ethylsulfanylbenzene
CID 5324154
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
4-(4-ethylsulfanylphenyl)benzaldehyde
CID 1392870

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-prop-2-enylbenzene?
The IUPAC name of 1-ethylsulfanyl-4-prop-2-enylbenzene (CID 2758925) is 1-ethylsulfanyl-4-prop-2-enylbenzene.
What is the SMILES notation for 1-ethylsulfanyl-4-prop-2-enylbenzene?
The canonical SMILES for 1-ethylsulfanyl-4-prop-2-enylbenzene is C=CCc1ccc(SCC)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-prop-2-enylbenzene?
The InChIKey is UXGPCKKPJOLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-3-5-10-6-8-11(9-7-10)12-4-2/h3,6-9H,1,4-5H2,2H3.
What are the key properties of 1-ethylsulfanyl-4-prop-2-enylbenzene?
1-ethylsulfanyl-4-prop-2-enylbenzene has a molecular weight of 178.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-prop-2-enylbenzene is sourced from PubChem (CID 2758925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).