(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane

C13H18O2S2Si — CID 11011979

IUPAC(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane
SMILESC[Si](C)(C)C1=C(Sc2ccccc2)CS(=O)(=O)C1
InChIInChI=1S/C13H18O2S2Si/c1-18(2,3)13-10-17(14,15)9-12(13)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyAMCDDXXPFCPNBV-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.34
Rot. Bonds3

About (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane

(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane (PubChem CID 11011979) has the molecular formula C13H18O2S2Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane.

Molecular Properties

Compound Name(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane
PubChem CID11011979
Molecular FormulaC13H18O2S2Si
Molecular Weight298.50 g/mol
Exact Mass298.05
IUPAC Name(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane
SMILESC[Si](C)(C)C1=C(Sc2ccccc2)CS(=O)(=O)C1
InChIInChI=1S/C13H18O2S2Si/c1-18(2,3)13-10-17(14,15)9-12(13)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyAMCDDXXPFCPNBV-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane?
The IUPAC name of (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane (CID 11011979) is (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane.
What is the SMILES notation for (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane?
The canonical SMILES for (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane is C[Si](C)(C)C1=C(Sc2ccccc2)CS(=O)(=O)C1.
What is the InChIKey of (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane?
The InChIKey is AMCDDXXPFCPNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S2Si/c1-18(2,3)13-10-17(14,15)9-12(13)16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane?
(1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-4-phenylsulfanyl-2,5-dihydrothiophen-3-yl)-trimethylsilane is sourced from PubChem (CID 11011979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).