[(Z)-2-prop-2-enylsulfanylethenyl]benzene

C11H12S — CID 11041259

IUPAC[(Z)-2-prop-2-enylsulfanylethenyl]benzene
SMILESC=CCS/C=C\c1ccccc1
InChIInChI=1S/C11H12S/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10H,1,9H2/b10-8-
InChIKeyFMKRJXZBZDZTRO-NTMALXAHSA-N
MW176.28 g/mol
LogP3.58
Rot. Bonds4

About [(Z)-2-prop-2-enylsulfanylethenyl]benzene

[(Z)-2-prop-2-enylsulfanylethenyl]benzene (PubChem CID 11041259) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is [(Z)-2-prop-2-enylsulfanylethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-prop-2-enylsulfanylethenyl]benzene
PubChem CID11041259
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name[(Z)-2-prop-2-enylsulfanylethenyl]benzene
SMILESC=CCS/C=C\c1ccccc1
InChIInChI=1S/C11H12S/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10H,1,9H2/b10-8-
InChIKeyFMKRJXZBZDZTRO-NTMALXAHSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
[(Z)-2-(2,2,2-trifluoroethylsulfanyl)ethenyl]benzene
CID 101442160
2-phenylethenyl thiohypofluorite
CID 175755686
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
[(E)-2-(cyclohexylmethylsulfanyl)ethenyl]benzene
CID 71605318
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811
N-(2-phenylethenyl)prop-2-en-1-amine
CID 66696805
CID 70567885
CID 70567885
CID 70569152
CID 70569152
6-[(Z)-2-phenylethenyl]sulfanylhexan-2-one
CID 10561697
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-prop-2-enylsulfanylethenyl]benzene?
The IUPAC name of [(Z)-2-prop-2-enylsulfanylethenyl]benzene (CID 11041259) is [(Z)-2-prop-2-enylsulfanylethenyl]benzene.
What is the SMILES notation for [(Z)-2-prop-2-enylsulfanylethenyl]benzene?
The canonical SMILES for [(Z)-2-prop-2-enylsulfanylethenyl]benzene is C=CCS/C=C\c1ccccc1.
What is the InChIKey of [(Z)-2-prop-2-enylsulfanylethenyl]benzene?
The InChIKey is FMKRJXZBZDZTRO-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12S/c1-2-9-12-10-8-11-6-4-3-5-7-11/h2-8,10H,1,9H2/b10-8-.
What are the key properties of [(Z)-2-prop-2-enylsulfanylethenyl]benzene?
[(Z)-2-prop-2-enylsulfanylethenyl]benzene has a molecular weight of 176.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-prop-2-enylsulfanylethenyl]benzene is sourced from PubChem (CID 11041259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).