bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane

C7H16BrPS — CID 23413528

IUPACbromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)P(=S)(Br)C(C)(C)C
InChIInChI=1S/C7H16BrPS/c1-6(2)9(8,10)7(3,4)5/h6H,1-5H3
InChIKeyBEEZVGMOZSIYFG-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.98
Rot. Bonds1

About bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane

bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane (PubChem CID 23413528) has the molecular formula C7H16BrPS and a molecular weight of 243.15 g/mol. Its IUPAC name is bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane
PubChem CID23413528
Molecular FormulaC7H16BrPS
Molecular Weight243.15 g/mol
Exact Mass241.99
IUPAC Namebromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)P(=S)(Br)C(C)(C)C
InChIInChI=1S/C7H16BrPS/c1-6(2)9(8,10)7(3,4)5/h6H,1-5H3
InChIKeyBEEZVGMOZSIYFG-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane (CID 23413528) is bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane is CC(C)P(=S)(Br)C(C)(C)C.
What is the InChIKey of bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The InChIKey is BEEZVGMOZSIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrPS/c1-6(2)9(8,10)7(3,4)5/h6H,1-5H3.
What are the key properties of bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane?
bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane has a molecular weight of 243.15 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tert-butyl-propan-2-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23413528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).