trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane

C19H24SSi — CID 12641109

IUPACtrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane
SMILESC=CCC(Sc1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24SSi/c1-5-16-19(21(2,3)4,17-12-8-6-9-13-17)20-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3
InChIKeyMHAZTYBPQYQUGA-UHFFFAOYSA-N
MW312.55 g/mol
LogP6.13
Rot. Bonds6

About trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane

trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane (PubChem CID 12641109) has the molecular formula C19H24SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane.

Molecular Properties

Compound Nametrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane
PubChem CID12641109
Molecular FormulaC19H24SSi
Molecular Weight312.55 g/mol
Exact Mass312.14
IUPAC Nametrimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane
SMILESC=CCC(Sc1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H24SSi/c1-5-16-19(21(2,3)4,17-12-8-6-9-13-17)20-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3
InChIKeyMHAZTYBPQYQUGA-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4,4'-Bis(ethylthio)biphenyl
CID 4026825
Benzene, 1-methyl-3-(phenylthio)-
CID 139633
4-tert-Butyldiphenyl sulfide
CID 11413822
1,1'-(Sulfanediyldi(ethane-1,1-diyl))dibenzene
CID 248893
Di-p-tolyl sulphide
CID 69294
Benzene, 1,1'-thiobis(2-methyl-
CID 138284

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The IUPAC name of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane (CID 12641109) is trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane.
What is the SMILES notation for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The canonical SMILES for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane is C=CCC(Sc1ccccc1)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane?
The InChIKey is MHAZTYBPQYQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24SSi/c1-5-16-19(21(2,3)4,17-12-8-6-9-13-17)20-18-14-10-7-11-15-18/h5-15H,1,16H2,2-4H3.
What are the key properties of trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane?
trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane has a molecular weight of 312.55 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enyl)silane is sourced from PubChem (CID 12641109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).