bis(propan-2-ylsulfanyl)phosphinic acid

C6H15O2PS2 — CID 12518112

IUPACbis(propan-2-ylsulfanyl)phosphinic acid
SMILESCC(C)SP(=O)(O)SC(C)C
InChIInChI=1S/C6H15O2PS2/c1-5(2)10-9(7,8)11-6(3)4/h5-6H,1-4H3,(H,7,8)
InChIKeyQCARJLWVQBKCEM-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.37
Rot. Bonds4

About bis(propan-2-ylsulfanyl)phosphinic acid

bis(propan-2-ylsulfanyl)phosphinic acid (PubChem CID 12518112) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is bis(propan-2-ylsulfanyl)phosphinic acid.

Molecular Properties

Compound Namebis(propan-2-ylsulfanyl)phosphinic acid
PubChem CID12518112
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namebis(propan-2-ylsulfanyl)phosphinic acid
SMILESCC(C)SP(=O)(O)SC(C)C
InChIInChI=1S/C6H15O2PS2/c1-5(2)10-9(7,8)11-6(3)4/h5-6H,1-4H3,(H,7,8)
InChIKeyQCARJLWVQBKCEM-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.37
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

phosphoric acid;2-(propan-2-yldisulfanyl)propane
CID 174843225
2-dichlorophosphorylsulfanylpropane
CID 14350603
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
(hydroxy-propan-2-ylimino-propan-2-ylsulfanyl-λ5-phosphanyl) dihydrogen phosphate
CID 21113795
propan-2-ylsulfanylmethylphosphonic acid
CID 87564093
2-[chloro(ethyl)phosphoryl]sulfanylpropane
CID 88693178
zinc;bis(2-methanidylpropane);phosphoric acid
CID 157060921
di(propan-2-yl)phosphinic acid;lanthanum
CID 174826410
1-silyloxyethylphosphonic acid
CID 173192117
[(1R)-1-aminoethyl]phosphonic acid;hydrochloride
CID 88516256
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
1-(1-aminoethylamino)ethylsulfanylphosphonic acid
CID 87343863

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-ylsulfanyl)phosphinic acid?
The IUPAC name of bis(propan-2-ylsulfanyl)phosphinic acid (CID 12518112) is bis(propan-2-ylsulfanyl)phosphinic acid.
What is the SMILES notation for bis(propan-2-ylsulfanyl)phosphinic acid?
The canonical SMILES for bis(propan-2-ylsulfanyl)phosphinic acid is CC(C)SP(=O)(O)SC(C)C.
What is the InChIKey of bis(propan-2-ylsulfanyl)phosphinic acid?
The InChIKey is QCARJLWVQBKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-5(2)10-9(7,8)11-6(3)4/h5-6H,1-4H3,(H,7,8).
What are the key properties of bis(propan-2-ylsulfanyl)phosphinic acid?
bis(propan-2-ylsulfanyl)phosphinic acid has a molecular weight of 214.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propan-2-ylsulfanyl)phosphinic acid is sourced from PubChem (CID 12518112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).