bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane

C6H14BrPS — CID 23415807

IUPACbromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(Br)C(C)(C)C
InChIInChI=1S/C6H14BrPS/c1-5-8(7,9)6(2,3)4/h5H2,1-4H3
InChIKeyWPJSTVMCFMZUMU-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.59
Rot. Bonds1

About bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane

bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane (PubChem CID 23415807) has the molecular formula C6H14BrPS and a molecular weight of 229.12 g/mol. Its IUPAC name is bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane
PubChem CID23415807
Molecular FormulaC6H14BrPS
Molecular Weight229.12 g/mol
Exact Mass227.97
IUPAC Namebromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(Br)C(C)(C)C
InChIInChI=1S/C6H14BrPS/c1-5-8(7,9)6(2,3)4/h5H2,1-4H3
InChIKeyWPJSTVMCFMZUMU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.59
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-tert-butyl-ethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane (CID 23415807) is bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane is CCP(=S)(Br)C(C)(C)C.
What is the InChIKey of bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane?
The InChIKey is WPJSTVMCFMZUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrPS/c1-5-8(7,9)6(2,3)4/h5H2,1-4H3.
What are the key properties of bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane?
bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane has a molecular weight of 229.12 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tert-butyl-ethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).