bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane

C5H12BrPS — CID 13349089

IUPACbromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)(C)P(C)(=S)Br
InChIInChI=1S/C5H12BrPS/c1-5(2,3)7(4,6)8/h1-4H3
InChIKeyJJSBYSIWKZTKRQ-UHFFFAOYSA-N
MW215.10 g/mol
LogP3.20
Rot. Bonds

About bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane

bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 13349089) has the molecular formula C5H12BrPS and a molecular weight of 215.10 g/mol. Its IUPAC name is bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane
PubChem CID13349089
Molecular FormulaC5H12BrPS
Molecular Weight215.10 g/mol
Exact Mass213.96
IUPAC Namebromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane
SMILESCC(C)(C)P(C)(=S)Br
InChIInChI=1S/C5H12BrPS/c1-5(2,3)7(4,6)8/h1-4H3
InChIKeyJJSBYSIWKZTKRQ-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

C6H14BrPS
CID 13463632
Tert-butyl-dimethyl-sulfanylidene-lambda5-phosphane
CID 20634565
Bromo-tert-butyl-ethyl-sulfanylidene-lambda5-phosphane
CID 23415807
Tert-butyldimethylphosphine
CID 11355502
C4H10BrPS
CID 23413526
C5H12BrPS
CID 23413527
C7H16BrPS
CID 23413528
Dibromo-tert-butyl-sulfanylidene-lambda5-phosphane
CID 23415650
Tert-butyl-chloro-methyl-sulfanylidene-lambda5-phosphane
CID 23415812
Bromo-ditert-butyl-sulfanylidene-lambda5-phosphane
CID 23413800
Tert-butyl(methylidene)phosphane
CID 533612
Tert-butyl-methyl-methylidenephosphanium
CID 20745003

Frequently Asked Questions

What is the IUPAC name of bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane (CID 13349089) is bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane is CC(C)(C)P(C)(=S)Br.
What is the InChIKey of bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is JJSBYSIWKZTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrPS/c1-5(2,3)7(4,6)8/h1-4H3.
What are the key properties of bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane?
bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 215.10 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tert-butyl-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).