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

C4H10BrPS — CID 23413526

IUPACbromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)P(C)(=S)Br
InChIInChI=1S/C4H10BrPS/c1-4(2)6(3,5)7/h4H,1-3H3
InChIKeyZSFPCJRCDRMPJR-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.81
Rot. Bonds1

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

bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane (PubChem CID 23413526) has the molecular formula C4H10BrPS and a molecular weight of 201.07 g/mol. Its IUPAC name is bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane
PubChem CID23413526
Molecular FormulaC4H10BrPS
Molecular Weight201.07 g/mol
Exact Mass199.94
IUPAC Namebromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane
SMILESCC(C)P(C)(=S)Br
InChIInChI=1S/C4H10BrPS/c1-4(2)6(3,5)7/h4H,1-3H3
InChIKeyZSFPCJRCDRMPJR-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.81
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-methyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane (CID 23413526) is bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane is CC(C)P(C)(=S)Br.
What is the InChIKey of bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane?
The InChIKey is ZSFPCJRCDRMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrPS/c1-4(2)6(3,5)7/h4H,1-3H3.
What are the key properties of bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane?
bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane has a molecular weight of 201.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-propan-2-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23413526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).