benzylsulfanyl(tetramethyl)-λ5-stibane

C11H19SSb — CID 131852530

IUPACbenzylsulfanyl(tetramethyl)-λ5-stibane
SMILESC[Sb](C)(C)(C)SCc1ccccc1
InChIInChI=1S/C7H8S.4CH3.Sb/c8-6-7-4-2-1-3-5-7;;;;;/h1-5,8H,6H2;4*1H3;/q;;;;;+1/p-1
InChIKeyDJCJKBUWXZYLED-UHFFFAOYSA-M
MW305.10 g/mol
LogP4.34
Rot. Bonds3

About benzylsulfanyl(tetramethyl)-λ5-stibane

benzylsulfanyl(tetramethyl)-λ5-stibane (PubChem CID 131852530) has the molecular formula C11H19SSb and a molecular weight of 305.10 g/mol. Its IUPAC name is benzylsulfanyl(tetramethyl)-λ5-stibane.

Molecular Properties

Compound Namebenzylsulfanyl(tetramethyl)-λ5-stibane
PubChem CID131852530
Molecular FormulaC11H19SSb
Molecular Weight305.10 g/mol
Exact Mass304.02
IUPAC Namebenzylsulfanyl(tetramethyl)-λ5-stibane
SMILESC[Sb](C)(C)(C)SCc1ccccc1
InChIInChI=1S/C7H8S.4CH3.Sb/c8-6-7-4-2-1-3-5-7;;;;;/h1-5,8H,6H2;4*1H3;/q;;;;;+1/p-1
InChIKeyDJCJKBUWXZYLED-UHFFFAOYSA-M
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 benzylsulfanyl(tetramethyl)-λ5-stibane?
The IUPAC name of benzylsulfanyl(tetramethyl)-λ5-stibane (CID 131852530) is benzylsulfanyl(tetramethyl)-λ5-stibane.
What is the SMILES notation for benzylsulfanyl(tetramethyl)-λ5-stibane?
The canonical SMILES for benzylsulfanyl(tetramethyl)-λ5-stibane is C[Sb](C)(C)(C)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl(tetramethyl)-λ5-stibane?
The InChIKey is DJCJKBUWXZYLED-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8S.4CH3.Sb/c8-6-7-4-2-1-3-5-7;;;;;/h1-5,8H,6H2;4*1H3;/q;;;;;+1/p-1.
What are the key properties of benzylsulfanyl(tetramethyl)-λ5-stibane?
benzylsulfanyl(tetramethyl)-λ5-stibane has a molecular weight of 305.10 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl(tetramethyl)-λ5-stibane is sourced from PubChem (CID 131852530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).