bis(methylsulfanyl) hydrogen phosphite

C2H7O3PS2 — CID 22325850

IUPACbis(methylsulfanyl) hydrogen phosphite
SMILESCSOP(O)OSC
InChIInChI=1S/C2H7O3PS2/c1-7-4-6(3)5-8-2/h3H,1-2H3
InChIKeyKLEMCWCKBDVKLT-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.79
Rot. Bonds4

About bis(methylsulfanyl) hydrogen phosphite

bis(methylsulfanyl) hydrogen phosphite (PubChem CID 22325850) has the molecular formula C2H7O3PS2 and a molecular weight of 174.18 g/mol. Its IUPAC name is bis(methylsulfanyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(methylsulfanyl) hydrogen phosphite
PubChem CID22325850
Molecular FormulaC2H7O3PS2
Molecular Weight174.18 g/mol
Exact Mass173.96
IUPAC Namebis(methylsulfanyl) hydrogen phosphite
SMILESCSOP(O)OSC
InChIInChI=1S/C2H7O3PS2/c1-7-4-6(3)5-8-2/h3H,1-2H3
InChIKeyKLEMCWCKBDVKLT-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
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) hydrogen phosphite?
The IUPAC name of bis(methylsulfanyl) hydrogen phosphite (CID 22325850) is bis(methylsulfanyl) hydrogen phosphite.
What is the SMILES notation for bis(methylsulfanyl) hydrogen phosphite?
The canonical SMILES for bis(methylsulfanyl) hydrogen phosphite is CSOP(O)OSC.
What is the InChIKey of bis(methylsulfanyl) hydrogen phosphite?
The InChIKey is KLEMCWCKBDVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS2/c1-7-4-6(3)5-8-2/h3H,1-2H3.
What are the key properties of bis(methylsulfanyl) hydrogen phosphite?
bis(methylsulfanyl) hydrogen phosphite has a molecular weight of 174.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl) hydrogen phosphite is sourced from PubChem (CID 22325850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).