[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane

C21H26S2Si — CID 11100738

IUPAC[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane
SMILESC=CCC(/C=C(\Sc1ccccc1)[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C21H26S2Si/c1-5-12-20(22-18-13-8-6-9-14-18)17-21(24(2,3)4)23-19-15-10-7-11-16-19/h5-11,13-17,20H,1,12H2,2-4H3/b21-17+
InChIKeyCSVNSSSZYOURIJ-HEHNFIMWSA-N
MW370.66 g/mol
LogP7.28
Rot. Bonds8

About [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane

[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane (PubChem CID 11100738) has the molecular formula C21H26S2Si and a molecular weight of 370.66 g/mol. Its IUPAC name is [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane
PubChem CID11100738
Molecular FormulaC21H26S2Si
Molecular Weight370.66 g/mol
Exact Mass370.12
IUPAC Name[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane
SMILESC=CCC(/C=C(\Sc1ccccc1)[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C21H26S2Si/c1-5-12-20(22-18-13-8-6-9-14-18)17-21(24(2,3)4)23-19-15-10-7-11-16-19/h5-11,13-17,20H,1,12H2,2-4H3/b21-17+
InChIKeyCSVNSSSZYOURIJ-HEHNFIMWSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Silane, trimethyl((phenylthio)methyl)-
CID 140295
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
1-(Trimethylsilyl)cyclopropyl phenyl sulfide
CID 552870
2-Phenylsulfanylethenylsulfanylbenzene
CID 585579
Methyl(4-(phenylthio)phenyl)sulfane
CID 10823499
Benzene, 1,1'-thiobis[4-(methylthio)-
CID 759362
10,10-Dimethylphenothiasilin
CID 143807
1,4-Bis(phenylthio)-2-butene
CID 5373859
Benzene, (pentylthio)-
CID 573677
(Hexylsulfanyl)benzene
CID 10012875
Benzene, 1,1'-[butylidenebis(thio)]bis-
CID 10989463

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane?
The IUPAC name of [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane (CID 11100738) is [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane is C=CCC(/C=C(\Sc1ccccc1)[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane?
The InChIKey is CSVNSSSZYOURIJ-HEHNFIMWSA-N. The full InChI is InChI=1S/C21H26S2Si/c1-5-12-20(22-18-13-8-6-9-14-18)17-21(24(2,3)4)23-19-15-10-7-11-16-19/h5-11,13-17,20H,1,12H2,2-4H3/b21-17+.
What are the key properties of [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane?
[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane has a molecular weight of 370.66 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane is sourced from PubChem (CID 11100738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).