disodium;1-dioxidophosphinothioylpropan-2-one

C3H5Na2O3PS — CID 59034134

IUPACdisodium;1-dioxidophosphinothioylpropan-2-one
SMILESCC(=O)CP([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C3H7O3PS.2Na/c1-3(4)2-7(5,6)8;;/h2H2,1H3,(H2,5,6,8);;/q;2*+1/p-2
InChIKeyYUBLIXCHJQDXSF-UHFFFAOYSA-L
MW198.09 g/mol
LogP-7.39
Rot. Bonds2

About disodium;1-dioxidophosphinothioylpropan-2-one

disodium;1-dioxidophosphinothioylpropan-2-one (PubChem CID 59034134) has the molecular formula C3H5Na2O3PS and a molecular weight of 198.09 g/mol. Its IUPAC name is disodium;1-dioxidophosphinothioylpropan-2-one.

Molecular Properties

Compound Namedisodium;1-dioxidophosphinothioylpropan-2-one
PubChem CID59034134
Molecular FormulaC3H5Na2O3PS
Molecular Weight198.09 g/mol
Exact Mass197.95
IUPAC Namedisodium;1-dioxidophosphinothioylpropan-2-one
SMILESCC(=O)CP([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C3H7O3PS.2Na/c1-3(4)2-7(5,6)8;;/h2H2,1H3,(H2,5,6,8);;/q;2*+1/p-2
InChIKeyYUBLIXCHJQDXSF-UHFFFAOYSA-L
XLogP-7.39
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 5-7.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;1-dioxidophosphinothioylpropan-2-one?
The IUPAC name of disodium;1-dioxidophosphinothioylpropan-2-one (CID 59034134) is disodium;1-dioxidophosphinothioylpropan-2-one.
What is the SMILES notation for disodium;1-dioxidophosphinothioylpropan-2-one?
The canonical SMILES for disodium;1-dioxidophosphinothioylpropan-2-one is CC(=O)CP([O-])([O-])=S.[Na+].[Na+].
What is the InChIKey of disodium;1-dioxidophosphinothioylpropan-2-one?
The InChIKey is YUBLIXCHJQDXSF-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O3PS.2Na/c1-3(4)2-7(5,6)8;;/h2H2,1H3,(H2,5,6,8);;/q;2*+1/p-2.
What are the key properties of disodium;1-dioxidophosphinothioylpropan-2-one?
disodium;1-dioxidophosphinothioylpropan-2-one has a molecular weight of 198.09 g/mol, XLogP of -7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-dioxidophosphinothioylpropan-2-one is sourced from PubChem (CID 59034134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).