[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium

C6H15O3P2S+ — CID 167632290

IUPAC[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
SMILESCC(C)COP(O)(=S)C[P+](C)=O
InChIInChI=1S/C6H14O3P2S/c1-6(2)4-9-11(8,12)5-10(3)7/h6H,4-5H2,1-3H3/p+1
InChIKeyKPJBXCRHZRAGGY-UHFFFAOYSA-O
MW229.20 g/mol
LogP2.38
Rot. Bonds5

About [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium

[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium (PubChem CID 167632290) has the molecular formula C6H15O3P2S+ and a molecular weight of 229.20 g/mol. Its IUPAC name is [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium.

Molecular Properties

Compound Name[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
PubChem CID167632290
Molecular FormulaC6H15O3P2S+
Molecular Weight229.20 g/mol
Exact Mass229.02
IUPAC Name[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
SMILESCC(C)COP(O)(=S)C[P+](C)=O
InChIInChI=1S/C6H14O3P2S/c1-6(2)4-9-11(8,12)5-10(3)7/h6H,4-5H2,1-3H3/p+1
InChIKeyKPJBXCRHZRAGGY-UHFFFAOYSA-O
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpropyl Hydrogen (R)-Methylphosphonate
CID 15764431
O-Isobutyl methylphosphonothiolate
CID 5182207
isobutyl P,P-dimethyl-phosphinate
CID 4188612
Isobutyltrideuteromethylphosphonic acid
CID 129761620
Dihydroxy-(2-methylpropoxy)-sulfanylidene-lambda5-phosphane
CID 19374047
Methyl(2-methylpropoxy)phosphinous acid
CID 54363681
Dihydroxy-methyl-(2-methylpropoxy)phosphanium
CID 88713877
Hydroxy-methoxy-(2-methylpropoxy)-sulfanylidene-lambda5-phosphane
CID 163934673
Methyl-(2-methylpropoxy)-oxido-sulfanylidene-lambda5-phosphane
CID 5182206

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium?
The IUPAC name of [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium (CID 167632290) is [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium.
What is the SMILES notation for [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium?
The canonical SMILES for [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium is CC(C)COP(O)(=S)C[P+](C)=O.
What is the InChIKey of [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium?
The InChIKey is KPJBXCRHZRAGGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14O3P2S/c1-6(2)4-9-11(8,12)5-10(3)7/h6H,4-5H2,1-3H3/p+1.
What are the key properties of [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium?
[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium has a molecular weight of 229.20 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium is sourced from PubChem (CID 167632290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).