[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene

C24H30S2Se2 — CID 135082590

IUPAC[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
SMILESCCCCS/C(=C\c1ccccc1)[Se][Se]/C(=C/c1ccccc1)SCCCC
InChIInChI=1S/C24H30S2Se2/c1-3-5-17-25-23(19-21-13-9-7-10-14-21)27-28-24(26-18-6-4-2)20-22-15-11-8-12-16-22/h7-16,19-20H,3-6,17-18H2,1-2H3/b23-19+,24-20+
InChIKeyCSGCQYDORBQJDW-BLVCXSLXSA-N
MW540.56 g/mol
LogP7.37
Rot. Bonds13

About [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene

[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene (PubChem CID 135082590) has the molecular formula C24H30S2Se2 and a molecular weight of 540.56 g/mol. Its IUPAC name is [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
PubChem CID135082590
Molecular FormulaC24H30S2Se2
Molecular Weight540.56 g/mol
Exact Mass542.01
IUPAC Name[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene
SMILESCCCCS/C(=C\c1ccccc1)[Se][Se]/C(=C/c1ccccc1)SCCCC
InChIInChI=1S/C24H30S2Se2/c1-3-5-17-25-23(19-21-13-9-7-10-14-21)27-28-24(26-18-6-4-2)20-22-15-11-8-12-16-22/h7-16,19-20H,3-6,17-18H2,1-2H3/b23-19+,24-20+
InChIKeyCSGCQYDORBQJDW-BLVCXSLXSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-dodecylsulfanyl-2-phenylethenyl)benzene
CID 72811867
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
butyl benzenecarbodithioate
CID 578502
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
CID 11438560
[(Z)-2-benzylsulfanyloct-1-enyl]benzene
CID 11358816
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
CID 134923204
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
(2E)-2-benzylidenehexanoic acid
CID 5354388
heptane;N-methylmethanamine;(E)-2-methyl-3-phenylprop-2-enal
CID 142518237
[(Z)-2-butyltellanyl-2-methylsulfanylethenyl]benzene
CID 134987860
S-decyl benzenecarbothioate
CID 11616108

Frequently Asked Questions

What is the IUPAC name of [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene?
The IUPAC name of [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene (CID 135082590) is [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene.
What is the SMILES notation for [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene?
The canonical SMILES for [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene is CCCCS/C(=C\c1ccccc1)[Se][Se]/C(=C/c1ccccc1)SCCCC.
What is the InChIKey of [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene?
The InChIKey is CSGCQYDORBQJDW-BLVCXSLXSA-N. The full InChI is InChI=1S/C24H30S2Se2/c1-3-5-17-25-23(19-21-13-9-7-10-14-21)27-28-24(26-18-6-4-2)20-22-15-11-8-12-16-22/h7-16,19-20H,3-6,17-18H2,1-2H3/b23-19+,24-20+.
What are the key properties of [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene?
[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene has a molecular weight of 540.56 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene is sourced from PubChem (CID 135082590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).