bromo-ditert-butyl-sulfanylidene-λ5-phosphane

C8H18BrPS — CID 23413800

IUPACbromo-ditert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Br)C(C)(C)C
InChIInChI=1S/C8H18BrPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3
InChIKeyVMAVVOCIBDIFEG-UHFFFAOYSA-N
MW257.18 g/mol
LogP4.37
Rot. Bonds

About bromo-ditert-butyl-sulfanylidene-λ5-phosphane

bromo-ditert-butyl-sulfanylidene-λ5-phosphane (PubChem CID 23413800) has the molecular formula C8H18BrPS and a molecular weight of 257.18 g/mol. Its IUPAC name is bromo-ditert-butyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-ditert-butyl-sulfanylidene-λ5-phosphane
PubChem CID23413800
Molecular FormulaC8H18BrPS
Molecular Weight257.18 g/mol
Exact Mass256.01
IUPAC Namebromo-ditert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Br)C(C)(C)C
InChIInChI=1S/C8H18BrPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3
InChIKeyVMAVVOCIBDIFEG-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-ditert-butyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bromo-ditert-butyl-sulfanylidene-λ5-phosphane (CID 23413800) is bromo-ditert-butyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bromo-ditert-butyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bromo-ditert-butyl-sulfanylidene-λ5-phosphane is CC(C)(C)P(=S)(Br)C(C)(C)C.
What is the InChIKey of bromo-ditert-butyl-sulfanylidene-λ5-phosphane?
The InChIKey is VMAVVOCIBDIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrPS/c1-7(2,3)10(9,11)8(4,5)6/h1-6H3.
What are the key properties of bromo-ditert-butyl-sulfanylidene-λ5-phosphane?
bromo-ditert-butyl-sulfanylidene-λ5-phosphane has a molecular weight of 257.18 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ditert-butyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23413800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).