benzenesulfinylbenzene;trichloro(methyl)silane

C13H13Cl3OSSi — CID 68863151

IUPACbenzenesulfinylbenzene;trichloro(methyl)silane
SMILESC[Si](Cl)(Cl)Cl.O=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS.CH3Cl3Si/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1H3
InChIKeyFEMYXXCBVRPCFV-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.12
Rot. Bonds2

About benzenesulfinylbenzene;trichloro(methyl)silane

benzenesulfinylbenzene;trichloro(methyl)silane (PubChem CID 68863151) has the molecular formula C13H13Cl3OSSi and a molecular weight of 351.76 g/mol. Its IUPAC name is benzenesulfinylbenzene;trichloro(methyl)silane.

Molecular Properties

Compound Namebenzenesulfinylbenzene;trichloro(methyl)silane
PubChem CID68863151
Molecular FormulaC13H13Cl3OSSi
Molecular Weight351.76 g/mol
Exact Mass349.95
IUPAC Namebenzenesulfinylbenzene;trichloro(methyl)silane
SMILESC[Si](Cl)(Cl)Cl.O=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OS.CH3Cl3Si/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1H3
InChIKeyFEMYXXCBVRPCFV-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzenesulfinylbenzene;trichloro(methyl)silane?
The IUPAC name of benzenesulfinylbenzene;trichloro(methyl)silane (CID 68863151) is benzenesulfinylbenzene;trichloro(methyl)silane.
What is the SMILES notation for benzenesulfinylbenzene;trichloro(methyl)silane?
The canonical SMILES for benzenesulfinylbenzene;trichloro(methyl)silane is C[Si](Cl)(Cl)Cl.O=S(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfinylbenzene;trichloro(methyl)silane?
The InChIKey is FEMYXXCBVRPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS.CH3Cl3Si/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;1H3.
What are the key properties of benzenesulfinylbenzene;trichloro(methyl)silane?
benzenesulfinylbenzene;trichloro(methyl)silane has a molecular weight of 351.76 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfinylbenzene;trichloro(methyl)silane is sourced from PubChem (CID 68863151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).