bis(methyldisulfanyl) hydrogen phosphite

C2H7O3PS4 — CID 87476140

IUPACbis(methyldisulfanyl) hydrogen phosphite
SMILESCSSOP(O)OSSC
InChIInChI=1S/C2H7O3PS4/c1-7-9-4-6(3)5-10-8-2/h3H,1-2H3
InChIKeyFBKFAFMLIGWNRF-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.09
Rot. Bonds6

About bis(methyldisulfanyl) hydrogen phosphite

bis(methyldisulfanyl) hydrogen phosphite (PubChem CID 87476140) has the molecular formula C2H7O3PS4 and a molecular weight of 238.32 g/mol. Its IUPAC name is bis(methyldisulfanyl) hydrogen phosphite.

Molecular Properties

Compound Namebis(methyldisulfanyl) hydrogen phosphite
PubChem CID87476140
Molecular FormulaC2H7O3PS4
Molecular Weight238.32 g/mol
Exact Mass237.90
IUPAC Namebis(methyldisulfanyl) hydrogen phosphite
SMILESCSSOP(O)OSSC
InChIInChI=1S/C2H7O3PS4/c1-7-9-4-6(3)5-10-8-2/h3H,1-2H3
InChIKeyFBKFAFMLIGWNRF-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'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(methyldisulfanyl) hydrogen phosphite?
The IUPAC name of bis(methyldisulfanyl) hydrogen phosphite (CID 87476140) is bis(methyldisulfanyl) hydrogen phosphite.
What is the SMILES notation for bis(methyldisulfanyl) hydrogen phosphite?
The canonical SMILES for bis(methyldisulfanyl) hydrogen phosphite is CSSOP(O)OSSC.
What is the InChIKey of bis(methyldisulfanyl) hydrogen phosphite?
The InChIKey is FBKFAFMLIGWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS4/c1-7-9-4-6(3)5-10-8-2/h3H,1-2H3.
What are the key properties of bis(methyldisulfanyl) hydrogen phosphite?
bis(methyldisulfanyl) hydrogen phosphite has a molecular weight of 238.32 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyldisulfanyl) hydrogen phosphite is sourced from PubChem (CID 87476140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).