[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane

C19H24S2Si — CID 11405220

IUPAC[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane
SMILESC[Si](C)(C)CC(/C=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H24S2Si/c1-22(2,3)16-19(21-18-12-8-5-9-13-18)14-15-20-17-10-6-4-7-11-17/h4-15,19H,16H2,1-3H3/b15-14+
InChIKeyBGKGFSDYHRKTIM-CCEZHUSRSA-N
MW344.62 g/mol
LogP6.79
Rot. Bonds7

About [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane

[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane (PubChem CID 11405220) has the molecular formula C19H24S2Si and a molecular weight of 344.62 g/mol. Its IUPAC name is [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane
PubChem CID11405220
Molecular FormulaC19H24S2Si
Molecular Weight344.62 g/mol
Exact Mass344.11
IUPAC Name[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane
SMILESC[Si](C)(C)CC(/C=C/Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C19H24S2Si/c1-22(2,3)16-19(21-18-12-8-5-9-13-18)14-15-20-17-10-6-4-7-11-17/h4-15,19H,16H2,1-3H3/b15-14+
InChIKeyBGKGFSDYHRKTIM-CCEZHUSRSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.62
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane?
The IUPAC name of [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane (CID 11405220) is [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane?
The canonical SMILES for [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane is C[Si](C)(C)CC(/C=C/Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane?
The InChIKey is BGKGFSDYHRKTIM-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H24S2Si/c1-22(2,3)16-19(21-18-12-8-5-9-13-18)14-15-20-17-10-6-4-7-11-17/h4-15,19H,16H2,1-3H3/b15-14+.
What are the key properties of [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane?
[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane has a molecular weight of 344.62 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane is sourced from PubChem (CID 11405220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).