bis(methylsulfanyl) phosphite

C2H6O3PS2- — CID 22325849

IUPACbis(methylsulfanyl) phosphite
SMILESCSOP([O-])OSC
InChIInChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q-1
InChIKeyGSGOQXVZZVAWQT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.16
Rot. Bonds4

About bis(methylsulfanyl) phosphite

bis(methylsulfanyl) phosphite (PubChem CID 22325849) has the molecular formula C2H6O3PS2- and a molecular weight of 173.17 g/mol. Its IUPAC name is bis(methylsulfanyl) phosphite.

Molecular Properties

Compound Namebis(methylsulfanyl) phosphite
PubChem CID22325849
Molecular FormulaC2H6O3PS2-
Molecular Weight173.17 g/mol
Exact Mass172.95
IUPAC Namebis(methylsulfanyl) phosphite
SMILESCSOP([O-])OSC
InChIInChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q-1
InChIKeyGSGOQXVZZVAWQT-UHFFFAOYSA-N
XLogP1.16
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl) phosphite?
The IUPAC name of bis(methylsulfanyl) phosphite (CID 22325849) is bis(methylsulfanyl) phosphite.
What is the SMILES notation for bis(methylsulfanyl) phosphite?
The canonical SMILES for bis(methylsulfanyl) phosphite is CSOP([O-])OSC.
What is the InChIKey of bis(methylsulfanyl) phosphite?
The InChIKey is GSGOQXVZZVAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q-1.
What are the key properties of bis(methylsulfanyl) phosphite?
bis(methylsulfanyl) phosphite has a molecular weight of 173.17 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl) phosphite is sourced from PubChem (CID 22325849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).