[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene

C16H16SSe — CID 11438560

IUPAC[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
SMILESC[Se]/C(=C/c1ccccc1)SCc1ccccc1
InChIInChI=1S/C16H16SSe/c1-18-16(12-14-8-4-2-5-9-14)17-13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12+
InChIKeyHFZKQZYJMOAIAO-FOWTUZBSSA-N
MW319.33 g/mol
LogP4.67
Rot. Bonds5

About [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene

[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene (PubChem CID 11438560) has the molecular formula C16H16SSe and a molecular weight of 319.33 g/mol. Its IUPAC name is [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
PubChem CID11438560
Molecular FormulaC16H16SSe
Molecular Weight319.33 g/mol
Exact Mass320.01
IUPAC Name[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
SMILESC[Se]/C(=C/c1ccccc1)SCc1ccccc1
InChIInChI=1S/C16H16SSe/c1-18-16(12-14-8-4-2-5-9-14)17-13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12+
InChIKeyHFZKQZYJMOAIAO-FOWTUZBSSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
CID 134923204
[(Z)-2-benzylsulfanyloct-1-enyl]benzene
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1-[2,2-bis(benzylsulfanyl)ethenyl]-4-chlorobenzene
CID 135021916
[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
CID 135082590
[(E)-2-bromo-2-methylselanylethenyl]benzene
CID 10989488
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
ethane;hydroxysulfanylmethylbenzene
CID 143821204
1-fluoroethenylsulfanylmethylbenzene
CID 10877515
1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
CID 67108847
S-benzyl ethanethioate;propanoic acid
CID 157378732
2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine
CID 16726576
benzylsulfanylmethanethioic S-acid;hydrochloride
CID 88841648

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene?
The IUPAC name of [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene (CID 11438560) is [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene.
What is the SMILES notation for [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene?
The canonical SMILES for [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene is C[Se]/C(=C/c1ccccc1)SCc1ccccc1.
What is the InChIKey of [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene?
The InChIKey is HFZKQZYJMOAIAO-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H16SSe/c1-18-16(12-14-8-4-2-5-9-14)17-13-15-10-6-3-7-11-15/h2-12H,13H2,1H3/b16-12+.
What are the key properties of [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene?
[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene has a molecular weight of 319.33 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene is sourced from PubChem (CID 11438560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).