bis(propan-2-ylsulfanyl)phosphinous acid

C6H15OPS2 — CID 154181100

IUPACbis(propan-2-ylsulfanyl)phosphinous acid
SMILESCC(C)SP(O)SC(C)C
InChIInChI=1S/C6H15OPS2/c1-5(2)9-8(7)10-6(3)4/h5-7H,1-4H3
InChIKeyFXOKPVXJJBPXTA-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.49
Rot. Bonds4

About bis(propan-2-ylsulfanyl)phosphinous acid

bis(propan-2-ylsulfanyl)phosphinous acid (PubChem CID 154181100) has the molecular formula C6H15OPS2 and a molecular weight of 198.29 g/mol. Its IUPAC name is bis(propan-2-ylsulfanyl)phosphinous acid.

Molecular Properties

Compound Namebis(propan-2-ylsulfanyl)phosphinous acid
PubChem CID154181100
Molecular FormulaC6H15OPS2
Molecular Weight198.29 g/mol
Exact Mass198.03
IUPAC Namebis(propan-2-ylsulfanyl)phosphinous acid
SMILESCC(C)SP(O)SC(C)C
InChIInChI=1S/C6H15OPS2/c1-5(2)9-8(7)10-6(3)4/h5-7H,1-4H3
InChIKeyFXOKPVXJJBPXTA-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(propan-2-ylsulfanyl)phosphinous acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-ylsulfanylphosphonous acid
CID 154145280
phosphorous acid;tetramethylphosphanium
CID 87583663
2,3-dimethylbutane;bis(sulfanediol)
CID 119097400
2,3-dimethylbutane;methanol
CID 142260145
propan-2-yl hydrogen phosphite
CID 20501230
cobalt;tetramethylphosphanium
CID 175561525
1-[hydroxy(methyl)phosphanyl]ethylphosphonous acid
CID 142312634
ethyl-phenyl-propan-2-ylsulfanylphosphane
CID 13169923
bis(N-ethylethanamine);1-hydroxypropan-2-ylsulfanylphosphonous acid
CID 172788863
methane;2-propan-2-ylsulfanylpropane
CID 172836255
propan-2-ylsulfanyl-λ2-stannane
CID 174641413
2-methylpropyl(propan-2-yloxy)phosphinous acid
CID 170206646

Frequently Asked Questions

What is the IUPAC name of bis(propan-2-ylsulfanyl)phosphinous acid?
The IUPAC name of bis(propan-2-ylsulfanyl)phosphinous acid (CID 154181100) is bis(propan-2-ylsulfanyl)phosphinous acid.
What is the SMILES notation for bis(propan-2-ylsulfanyl)phosphinous acid?
The canonical SMILES for bis(propan-2-ylsulfanyl)phosphinous acid is CC(C)SP(O)SC(C)C.
What is the InChIKey of bis(propan-2-ylsulfanyl)phosphinous acid?
The InChIKey is FXOKPVXJJBPXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15OPS2/c1-5(2)9-8(7)10-6(3)4/h5-7H,1-4H3.
What are the key properties of bis(propan-2-ylsulfanyl)phosphinous acid?
bis(propan-2-ylsulfanyl)phosphinous acid has a molecular weight of 198.29 g/mol, XLogP of 3.49, 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)phosphinous acid is sourced from PubChem (CID 154181100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).