methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane

C3H9OPS2 — CID 58139725

IUPACmethoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOP(C)(=S)SC
InChIInChI=1S/C3H9OPS2/c1-4-5(2,6)7-3/h1-3H3
InChIKeyZYNWJNLBMPFLAE-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.94
Rot. Bonds2

About methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane

methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 58139725) has the molecular formula C3H9OPS2 and a molecular weight of 156.21 g/mol. Its IUPAC name is methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID58139725
Molecular FormulaC3H9OPS2
Molecular Weight156.21 g/mol
Exact Mass155.98
IUPAC Namemethoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCOP(C)(=S)SC
InChIInChI=1S/C3H9OPS2/c1-4-5(2,6)7-3/h1-3H3
InChIKeyZYNWJNLBMPFLAE-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane (CID 58139725) is methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane is COP(C)(=S)SC.
What is the InChIKey of methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZYNWJNLBMPFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OPS2/c1-4-5(2,6)7-3/h1-3H3.
What are the key properties of methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane?
methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 156.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methyl-methylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58139725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).