ethyl-oxo-(1-sulfooxyethyl)phosphanium

C4H10O5PS+ — CID 139581741

IUPACethyl-oxo-(1-sulfooxyethyl)phosphanium
SMILESCC[P+](=O)C(C)OS(=O)(=O)O
InChIInChI=1S/C4H9O5PS/c1-3-10(5)4(2)9-11(6,7)8/h4H,3H2,1-2H3/p+1
InChIKeyFQNJZHSQMLIAHE-UHFFFAOYSA-O
MW201.16 g/mol
LogP1.00
Rot. Bonds4

About ethyl-oxo-(1-sulfooxyethyl)phosphanium

ethyl-oxo-(1-sulfooxyethyl)phosphanium (PubChem CID 139581741) has the molecular formula C4H10O5PS+ and a molecular weight of 201.16 g/mol. Its IUPAC name is ethyl-oxo-(1-sulfooxyethyl)phosphanium.

Molecular Properties

Compound Nameethyl-oxo-(1-sulfooxyethyl)phosphanium
PubChem CID139581741
Molecular FormulaC4H10O5PS+
Molecular Weight201.16 g/mol
Exact Mass201.00
IUPAC Nameethyl-oxo-(1-sulfooxyethyl)phosphanium
SMILESCC[P+](=O)C(C)OS(=O)(=O)O
InChIInChI=1S/C4H9O5PS/c1-3-10(5)4(2)9-11(6,7)8/h4H,3H2,1-2H3/p+1
InChIKeyFQNJZHSQMLIAHE-UHFFFAOYSA-O
XLogP1.00
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

pentan-2-yl hydrogen sulfate
CID 23335662
propan-2-yl hydrogen sulfate;zirconium
CID 175368295
propan-2-yl hydrogen sulfate;triethyl(methyl)azanium
CID 174759318
pent-1-en-3-yl hydrogen sulfate
CID 87155299
3-methylbutan-2-yl hydrogen sulfate
CID 87155723
1-sulfooxypropane-1-sulfonic acid
CID 87984449
guanidine;propan-2-yl hydrogen sulfate
CID 175078270
1-chloropropyl hydrogen sulfate
CID 21327629
[(2S)-5-methylhexan-2-yl] hydrogen sulfate
CID 89320849
[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
octyl (2R)-2-sulfooxypropanoate
CID 129387074
octadecyl 2-sulfooxypropanoate
CID 18954974

Frequently Asked Questions

What is the IUPAC name of ethyl-oxo-(1-sulfooxyethyl)phosphanium?
The IUPAC name of ethyl-oxo-(1-sulfooxyethyl)phosphanium (CID 139581741) is ethyl-oxo-(1-sulfooxyethyl)phosphanium.
What is the SMILES notation for ethyl-oxo-(1-sulfooxyethyl)phosphanium?
The canonical SMILES for ethyl-oxo-(1-sulfooxyethyl)phosphanium is CC[P+](=O)C(C)OS(=O)(=O)O.
What is the InChIKey of ethyl-oxo-(1-sulfooxyethyl)phosphanium?
The InChIKey is FQNJZHSQMLIAHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O5PS/c1-3-10(5)4(2)9-11(6,7)8/h4H,3H2,1-2H3/p+1.
What are the key properties of ethyl-oxo-(1-sulfooxyethyl)phosphanium?
ethyl-oxo-(1-sulfooxyethyl)phosphanium has a molecular weight of 201.16 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-oxo-(1-sulfooxyethyl)phosphanium is sourced from PubChem (CID 139581741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).