trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane

C17H18S2Si — CID 102189384

IUPACtrimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
SMILESC[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C17H18S2Si/c1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17/h4-12H,1-3H3
InChIKeyFMUYXBFLVUHQAC-UHFFFAOYSA-N
MW314.55 g/mol
LogP5.60
Rot. Bonds3

About trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane

trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane (PubChem CID 102189384) has the molecular formula C17H18S2Si and a molecular weight of 314.55 g/mol. Its IUPAC name is trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
PubChem CID102189384
Molecular FormulaC17H18S2Si
Molecular Weight314.55 g/mol
Exact Mass314.06
IUPAC Nametrimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane
SMILESC[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1
InChIInChI=1S/C17H18S2Si/c1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17/h4-12H,1-3H3
InChIKeyFMUYXBFLVUHQAC-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The IUPAC name of trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane (CID 102189384) is trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane.
What is the SMILES notation for trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The canonical SMILES for trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane is C[Si](C)(C)c1sc2ccccc2c1Sc1ccccc1.
What is the InChIKey of trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
The InChIKey is FMUYXBFLVUHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S2Si/c1-20(2,3)17-16(18-13-9-5-4-6-10-13)14-11-7-8-12-15(14)19-17/h4-12H,1-3H3.
What are the key properties of trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane?
trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane has a molecular weight of 314.55 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-phenylsulfanyl-1-benzothiophen-2-yl)silane is sourced from PubChem (CID 102189384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).