but-3-enylsulfanylmethylselanylbenzene

C11H14SSe — CID 15890301

IUPACbut-3-enylsulfanylmethylselanylbenzene
SMILESC=CCCSC[Se]c1ccccc1
InChIInChI=1S/C11H14SSe/c1-2-3-9-12-10-13-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2
InChIKeyLBTSTYVEDVKQOS-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.28
Rot. Bonds6

About but-3-enylsulfanylmethylselanylbenzene

but-3-enylsulfanylmethylselanylbenzene (PubChem CID 15890301) has the molecular formula C11H14SSe and a molecular weight of 257.26 g/mol. Its IUPAC name is but-3-enylsulfanylmethylselanylbenzene.

Molecular Properties

Compound Namebut-3-enylsulfanylmethylselanylbenzene
PubChem CID15890301
Molecular FormulaC11H14SSe
Molecular Weight257.26 g/mol
Exact Mass258.00
IUPAC Namebut-3-enylsulfanylmethylselanylbenzene
SMILESC=CCCSC[Se]c1ccccc1
InChIInChI=1S/C11H14SSe/c1-2-3-9-12-10-13-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2
InChIKeyLBTSTYVEDVKQOS-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enylsulfanylmethylselanylbenzene?
The IUPAC name of but-3-enylsulfanylmethylselanylbenzene (CID 15890301) is but-3-enylsulfanylmethylselanylbenzene.
What is the SMILES notation for but-3-enylsulfanylmethylselanylbenzene?
The canonical SMILES for but-3-enylsulfanylmethylselanylbenzene is C=CCCSC[Se]c1ccccc1.
What is the InChIKey of but-3-enylsulfanylmethylselanylbenzene?
The InChIKey is LBTSTYVEDVKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14SSe/c1-2-3-9-12-10-13-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2.
What are the key properties of but-3-enylsulfanylmethylselanylbenzene?
but-3-enylsulfanylmethylselanylbenzene has a molecular weight of 257.26 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylsulfanylmethylselanylbenzene is sourced from PubChem (CID 15890301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).