methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane

C2H6O2PS2- — CID 23416337

IUPACmethoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCOP([O-])(=S)SC
InChIInChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6)/p-1
InChIKeyPSRWXHIYWUDGMA-UHFFFAOYSA-M
MW157.18 g/mol
LogP0.58
Rot. Bonds2

About methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane

methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23416337) has the molecular formula C2H6O2PS2- and a molecular weight of 157.18 g/mol. Its IUPAC name is methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID23416337
Molecular FormulaC2H6O2PS2-
Molecular Weight157.18 g/mol
Exact Mass156.96
IUPAC Namemethoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCOP([O-])(=S)SC
InChIInChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6)/p-1
InChIKeyPSRWXHIYWUDGMA-UHFFFAOYSA-M
XLogP0.58
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane (CID 23416337) is methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane is COP([O-])(=S)SC.
What is the InChIKey of methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is PSRWXHIYWUDGMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O2PS2/c1-4-5(3,6)7-2/h1-2H3,(H,3,6)/p-1.
What are the key properties of methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 157.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylsulfanyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23416337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).