hydroxy-dimethoxy-methylsulfanylphosphanium

C3H10O3PS+ — CID 129026837

IUPAChydroxy-dimethoxy-methylsulfanylphosphanium
SMILESCO[P+](O)(OC)SC
InChIInChI=1S/C3H10O3PS/c1-5-7(4,6-2)8-3/h4H,1-3H3/q+1
InChIKeyNVFNDWYSHINHQI-UHFFFAOYSA-N
MW157.15 g/mol
LogP1.31
Rot. Bonds3

About hydroxy-dimethoxy-methylsulfanylphosphanium

hydroxy-dimethoxy-methylsulfanylphosphanium (PubChem CID 129026837) has the molecular formula C3H10O3PS+ and a molecular weight of 157.15 g/mol. Its IUPAC name is hydroxy-dimethoxy-methylsulfanylphosphanium.

Molecular Properties

Compound Namehydroxy-dimethoxy-methylsulfanylphosphanium
PubChem CID129026837
Molecular FormulaC3H10O3PS+
Molecular Weight157.15 g/mol
Exact Mass157.01
IUPAC Namehydroxy-dimethoxy-methylsulfanylphosphanium
SMILESCO[P+](O)(OC)SC
InChIInChI=1S/C3H10O3PS/c1-5-7(4,6-2)8-3/h4H,1-3H3/q+1
InChIKeyNVFNDWYSHINHQI-UHFFFAOYSA-N
XLogP1.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 hydroxy-dimethoxy-methylsulfanylphosphanium?
The IUPAC name of hydroxy-dimethoxy-methylsulfanylphosphanium (CID 129026837) is hydroxy-dimethoxy-methylsulfanylphosphanium.
What is the SMILES notation for hydroxy-dimethoxy-methylsulfanylphosphanium?
The canonical SMILES for hydroxy-dimethoxy-methylsulfanylphosphanium is CO[P+](O)(OC)SC.
What is the InChIKey of hydroxy-dimethoxy-methylsulfanylphosphanium?
The InChIKey is NVFNDWYSHINHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3PS/c1-5-7(4,6-2)8-3/h4H,1-3H3/q+1.
What are the key properties of hydroxy-dimethoxy-methylsulfanylphosphanium?
hydroxy-dimethoxy-methylsulfanylphosphanium has a molecular weight of 157.15 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethoxy-methylsulfanylphosphanium is sourced from PubChem (CID 129026837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).