diphenyl-bis(sulfanyl)silane

C12H12S2Si — CID 101089358

IUPACdiphenyl-bis(sulfanyl)silane
SMILESS[Si](S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H12S2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCODPJKZMXWEMAR-UHFFFAOYSA-N
MW248.45 g/mol
LogP2.10
Rot. Bonds2

About diphenyl-bis(sulfanyl)silane

diphenyl-bis(sulfanyl)silane (PubChem CID 101089358) has the molecular formula C12H12S2Si and a molecular weight of 248.45 g/mol. Its IUPAC name is diphenyl-bis(sulfanyl)silane.

Molecular Properties

Compound Namediphenyl-bis(sulfanyl)silane
PubChem CID101089358
Molecular FormulaC12H12S2Si
Molecular Weight248.45 g/mol
Exact Mass248.01
IUPAC Namediphenyl-bis(sulfanyl)silane
SMILESS[Si](S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H12S2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKeyCODPJKZMXWEMAR-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(sulfanyl)silane?
The IUPAC name of diphenyl-bis(sulfanyl)silane (CID 101089358) is diphenyl-bis(sulfanyl)silane.
What is the SMILES notation for diphenyl-bis(sulfanyl)silane?
The canonical SMILES for diphenyl-bis(sulfanyl)silane is S[Si](S)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-bis(sulfanyl)silane?
The InChIKey is CODPJKZMXWEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H.
What are the key properties of diphenyl-bis(sulfanyl)silane?
diphenyl-bis(sulfanyl)silane has a molecular weight of 248.45 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(sulfanyl)silane is sourced from PubChem (CID 101089358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).