dimethoxyphosphoryl-bis(methylsulfanyl)methane

C5H13O3PS2 — CID 5243976

IUPACdimethoxyphosphoryl-bis(methylsulfanyl)methane
SMILESCOP(=O)(OC)C(SC)SC
InChIInChI=1S/C5H13O3PS2/c1-7-9(6,8-2)5(10-3)11-4/h5H,1-4H3
InChIKeyCAHXAVHWMLFWIT-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.48
Rot. Bonds5

About dimethoxyphosphoryl-bis(methylsulfanyl)methane

dimethoxyphosphoryl-bis(methylsulfanyl)methane (PubChem CID 5243976) has the molecular formula C5H13O3PS2 and a molecular weight of 216.26 g/mol. Its IUPAC name is dimethoxyphosphoryl-bis(methylsulfanyl)methane.

Molecular Properties

Compound Namedimethoxyphosphoryl-bis(methylsulfanyl)methane
PubChem CID5243976
Molecular FormulaC5H13O3PS2
Molecular Weight216.26 g/mol
Exact Mass216.00
IUPAC Namedimethoxyphosphoryl-bis(methylsulfanyl)methane
SMILESCOP(=O)(OC)C(SC)SC
InChIInChI=1S/C5H13O3PS2/c1-7-9(6,8-2)5(10-3)11-4/h5H,1-4H3
InChIKeyCAHXAVHWMLFWIT-UHFFFAOYSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl-bis(methylsulfanyl)methane?
The IUPAC name of dimethoxyphosphoryl-bis(methylsulfanyl)methane (CID 5243976) is dimethoxyphosphoryl-bis(methylsulfanyl)methane.
What is the SMILES notation for dimethoxyphosphoryl-bis(methylsulfanyl)methane?
The canonical SMILES for dimethoxyphosphoryl-bis(methylsulfanyl)methane is COP(=O)(OC)C(SC)SC.
What is the InChIKey of dimethoxyphosphoryl-bis(methylsulfanyl)methane?
The InChIKey is CAHXAVHWMLFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3PS2/c1-7-9(6,8-2)5(10-3)11-4/h5H,1-4H3.
What are the key properties of dimethoxyphosphoryl-bis(methylsulfanyl)methane?
dimethoxyphosphoryl-bis(methylsulfanyl)methane has a molecular weight of 216.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl-bis(methylsulfanyl)methane is sourced from PubChem (CID 5243976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).