[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane

C18H22OS2Si — CID 134929901

IUPAC[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(C(Sc2ccccc2)Sc2ccccc2)CO1
InChIInChI=1S/C18H22OS2Si/c1-22(2,3)18(14-19-18)17(20-15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyKPAAQWGMSMXOKU-UHFFFAOYSA-N
MW346.59 g/mol
LogP5.54
Rot. Bonds6

About [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane

[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane (PubChem CID 134929901) has the molecular formula C18H22OS2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane
PubChem CID134929901
Molecular FormulaC18H22OS2Si
Molecular Weight346.59 g/mol
Exact Mass346.09
IUPAC Name[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(C(Sc2ccccc2)Sc2ccccc2)CO1
InChIInChI=1S/C18H22OS2Si/c1-22(2,3)18(14-19-18)17(20-15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3
InChIKeyKPAAQWGMSMXOKU-UHFFFAOYSA-N
XLogP5.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
2-[2,2-Bis(phenylsulfanyl)ethyl]oxirane
CID 13776915
Trimethyl[2-methylidene-4,4-bis(phenylsulfanyl)butyl]silane
CID 15855736
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Silane, [bis(phenylthio)methyl]trimethyl-
CID 10968737
[(Z)-1,3-bis(phenylsulfanyl)prop-1-enyl]-trimethylsilane
CID 11002051
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-phenylsilane
CID 11079444
[(1Z)-1,3-bis(phenylsulfanyl)hexa-1,5-dienyl]-trimethylsilane
CID 11100738
1,1'-((2-(Trimethylsilyl)ethylidene)bis(thio))bis(benzene)
CID 11130962
[(Z)-1,2-bis(phenylsulfanyl)ethenyl]-trimethylsilane
CID 11313136
[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane
CID 11405220

Frequently Asked Questions

What is the IUPAC name of [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane?
The IUPAC name of [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane (CID 134929901) is [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane.
What is the SMILES notation for [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane?
The canonical SMILES for [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane is C[Si](C)(C)C1(C(Sc2ccccc2)Sc2ccccc2)CO1.
What is the InChIKey of [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane?
The InChIKey is KPAAQWGMSMXOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS2Si/c1-22(2,3)18(14-19-18)17(20-15-10-6-4-7-11-15)21-16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3.
What are the key properties of [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane?
[2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane has a molecular weight of 346.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(phenylsulfanyl)methyl]oxiran-2-yl]-trimethylsilane is sourced from PubChem (CID 134929901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).