hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium

C3H10O3PS+ — CID 90042282

IUPAChydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium
SMILESCS(C)(C)O[P+](=O)O
InChIInChI=1S/C3H9O3PS/c1-8(2,3)6-7(4)5/h1-3H3/p+1
InChIKeyXURQBVPTUWTJTP-UHFFFAOYSA-O
MW157.15 g/mol
LogP1.26
Rot. Bonds2

About hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium

hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium (PubChem CID 90042282) has the molecular formula C3H10O3PS+ and a molecular weight of 157.15 g/mol. Its IUPAC name is hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium
PubChem CID90042282
Molecular FormulaC3H10O3PS+
Molecular Weight157.15 g/mol
Exact Mass157.01
IUPAC Namehydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium
SMILESCS(C)(C)O[P+](=O)O
InChIInChI=1S/C3H9O3PS/c1-8(2,3)6-7(4)5/h1-3H3/p+1
InChIKeyXURQBVPTUWTJTP-UHFFFAOYSA-O
XLogP1.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The IUPAC name of hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium (CID 90042282) is hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium.
What is the SMILES notation for hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The canonical SMILES for hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium is CS(C)(C)O[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The InChIKey is XURQBVPTUWTJTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9O3PS/c1-8(2,3)6-7(4)5/h1-3H3/p+1.
What are the key properties of hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium?
hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium has a molecular weight of 157.15 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(trimethyl-λ4-sulfanyl)oxyphosphanium is sourced from PubChem (CID 90042282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).