[(Z)-2-ethylsulfanylethenyl]selanylbenzene

C10H12SSe — CID 10776609

IUPAC[(Z)-2-ethylsulfanylethenyl]selanylbenzene
SMILESCCS/C=C\[Se]c1ccccc1
InChIInChI=1S/C10H12SSe/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyRKYVBBFDENIEJZ-HJWRWDBZSA-N
MW243.23 g/mol
LogP2.24
Rot. Bonds4

About [(Z)-2-ethylsulfanylethenyl]selanylbenzene

[(Z)-2-ethylsulfanylethenyl]selanylbenzene (PubChem CID 10776609) has the molecular formula C10H12SSe and a molecular weight of 243.23 g/mol. Its IUPAC name is [(Z)-2-ethylsulfanylethenyl]selanylbenzene.

Molecular Properties

Compound Name[(Z)-2-ethylsulfanylethenyl]selanylbenzene
PubChem CID10776609
Molecular FormulaC10H12SSe
Molecular Weight243.23 g/mol
Exact Mass243.98
IUPAC Name[(Z)-2-ethylsulfanylethenyl]selanylbenzene
SMILESCCS/C=C\[Se]c1ccccc1
InChIInChI=1S/C10H12SSe/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
InChIKeyRKYVBBFDENIEJZ-HJWRWDBZSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfanylethenyl]selanylbenzene?
The IUPAC name of [(Z)-2-ethylsulfanylethenyl]selanylbenzene (CID 10776609) is [(Z)-2-ethylsulfanylethenyl]selanylbenzene.
What is the SMILES notation for [(Z)-2-ethylsulfanylethenyl]selanylbenzene?
The canonical SMILES for [(Z)-2-ethylsulfanylethenyl]selanylbenzene is CCS/C=C\[Se]c1ccccc1.
What is the InChIKey of [(Z)-2-ethylsulfanylethenyl]selanylbenzene?
The InChIKey is RKYVBBFDENIEJZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H12SSe/c1-2-11-8-9-12-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-.
What are the key properties of [(Z)-2-ethylsulfanylethenyl]selanylbenzene?
[(Z)-2-ethylsulfanylethenyl]selanylbenzene has a molecular weight of 243.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfanylethenyl]selanylbenzene is sourced from PubChem (CID 10776609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).