1-benzylsulfinylethenyl(triphenyl)silane

C27H24OSSi — CID 15200628

IUPAC1-benzylsulfinylethenyl(triphenyl)silane
SMILESC=C(S(=O)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24OSSi/c1-23(29(28)22-24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,1,22H2
InChIKeyCSSGJESREOISET-UHFFFAOYSA-N
MW424.64 g/mol
LogP4.16
Rot. Bonds7

About 1-benzylsulfinylethenyl(triphenyl)silane

1-benzylsulfinylethenyl(triphenyl)silane (PubChem CID 15200628) has the molecular formula C27H24OSSi and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-benzylsulfinylethenyl(triphenyl)silane.

Molecular Properties

Compound Name1-benzylsulfinylethenyl(triphenyl)silane
PubChem CID15200628
Molecular FormulaC27H24OSSi
Molecular Weight424.64 g/mol
Exact Mass424.13
IUPAC Name1-benzylsulfinylethenyl(triphenyl)silane
SMILESC=C(S(=O)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24OSSi/c1-23(29(28)22-24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,1,22H2
InChIKeyCSSGJESREOISET-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzylsulfinylethenyl(triethyl)silane
CID 15200626
1-benzylsulfinyl-N,N-diethylformamide
CID 57071147
[(R)-[(1Z)-3-methylbuta-1,3-dienyl]sulfinyl]methylbenzene
CID 134882097
4-benzyl-5-phenyl-2-triphenylsilylpent-1-en-3-ol
CID 12987153
2-[(R)-benzylsulfinyl]phenol
CID 139142856
1-triphenylsilylprop-2-en-1-one
CID 15033005
sodium;hydride;phenylmethanesulfinate
CID 174980336
prop-2-enylbenzene;sulfur trioxide
CID 175109242
sulfanyl phenylmethanesulfinate
CID 141352778
triphenyl(1-triphenylsilylpropa-1,2-dienyl)silane
CID 518172
2-benzylsulfinylpyridine
CID 13185049
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfinylethenyl(triphenyl)silane?
The IUPAC name of 1-benzylsulfinylethenyl(triphenyl)silane (CID 15200628) is 1-benzylsulfinylethenyl(triphenyl)silane.
What is the SMILES notation for 1-benzylsulfinylethenyl(triphenyl)silane?
The canonical SMILES for 1-benzylsulfinylethenyl(triphenyl)silane is C=C(S(=O)Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzylsulfinylethenyl(triphenyl)silane?
The InChIKey is CSSGJESREOISET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24OSSi/c1-23(29(28)22-24-14-6-2-7-15-24)30(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27/h2-21H,1,22H2.
What are the key properties of 1-benzylsulfinylethenyl(triphenyl)silane?
1-benzylsulfinylethenyl(triphenyl)silane has a molecular weight of 424.64 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfinylethenyl(triphenyl)silane is sourced from PubChem (CID 15200628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).