bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane

C5H12BrPS — CID 23413527

IUPACbromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(Br)C(C)C
InChIInChI=1S/C5H12BrPS/c1-4-7(6,8)5(2)3/h5H,4H2,1-3H3
InChIKeyINRPIJGHORTERG-UHFFFAOYSA-N
MW215.10 g/mol
LogP3.20
Rot. Bonds2

About bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane

bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane (PubChem CID 23413527) has the molecular formula C5H12BrPS and a molecular weight of 215.10 g/mol. Its IUPAC name is bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane
PubChem CID23413527
Molecular FormulaC5H12BrPS
Molecular Weight215.10 g/mol
Exact Mass213.96
IUPAC Namebromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCCP(=S)(Br)C(C)C
InChIInChI=1S/C5H12BrPS/c1-4-7(6,8)5(2)3/h5H,4H2,1-3H3
InChIKeyINRPIJGHORTERG-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane (CID 23413527) is bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane is CCP(=S)(Br)C(C)C.
What is the InChIKey of bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The InChIKey is INRPIJGHORTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrPS/c1-4-7(6,8)5(2)3/h5H,4H2,1-3H3.
What are the key properties of bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane?
bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane has a molecular weight of 215.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ethyl-propan-2-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23413527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).