dibromo-tert-butyl-sulfanylidene-λ5-phosphane

C4H9Br2PS — CID 23415650

IUPACdibromo-tert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Br)Br
InChIInChI=1S/C4H9Br2PS/c1-4(2,3)7(5,6)8/h1-3H3
InChIKeyTYJKWJHMXZOQPN-UHFFFAOYSA-N
MW279.97 g/mol
LogP3.88
Rot. Bonds

About dibromo-tert-butyl-sulfanylidene-λ5-phosphane

dibromo-tert-butyl-sulfanylidene-λ5-phosphane (PubChem CID 23415650) has the molecular formula C4H9Br2PS and a molecular weight of 279.97 g/mol. Its IUPAC name is dibromo-tert-butyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedibromo-tert-butyl-sulfanylidene-λ5-phosphane
PubChem CID23415650
Molecular FormulaC4H9Br2PS
Molecular Weight279.97 g/mol
Exact Mass277.85
IUPAC Namedibromo-tert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Br)Br
InChIInChI=1S/C4H9Br2PS/c1-4(2,3)7(5,6)8/h1-3H3
InChIKeyTYJKWJHMXZOQPN-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.97
LogP ≤ 53.88
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 dibromo-tert-butyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dibromo-tert-butyl-sulfanylidene-λ5-phosphane (CID 23415650) is dibromo-tert-butyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dibromo-tert-butyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dibromo-tert-butyl-sulfanylidene-λ5-phosphane is CC(C)(C)P(=S)(Br)Br.
What is the InChIKey of dibromo-tert-butyl-sulfanylidene-λ5-phosphane?
The InChIKey is TYJKWJHMXZOQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br2PS/c1-4(2,3)7(5,6)8/h1-3H3.
What are the key properties of dibromo-tert-butyl-sulfanylidene-λ5-phosphane?
dibromo-tert-butyl-sulfanylidene-λ5-phosphane has a molecular weight of 279.97 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromo-tert-butyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23415650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).