1-[methoxy(methylsulfanyl)phosphoryl]ethane

C4H11O2PS — CID 162624021

IUPAC1-[methoxy(methylsulfanyl)phosphoryl]ethane
SMILESCC[P@@](=O)(OC)SC
InChIInChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3/t7-/m1/s1
InChIKeyZEOAMTWWLDATMW-SSDOTTSWSA-N
MW154.17 g/mol
LogP2.21
Rot. Bonds3

About 1-[methoxy(methylsulfanyl)phosphoryl]ethane

1-[methoxy(methylsulfanyl)phosphoryl]ethane (PubChem CID 162624021) has the molecular formula C4H11O2PS and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-[methoxy(methylsulfanyl)phosphoryl]ethane.

Molecular Properties

Compound Name1-[methoxy(methylsulfanyl)phosphoryl]ethane
PubChem CID162624021
Molecular FormulaC4H11O2PS
Molecular Weight154.17 g/mol
Exact Mass154.02
IUPAC Name1-[methoxy(methylsulfanyl)phosphoryl]ethane
SMILESCC[P@@](=O)(OC)SC
InChIInChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3/t7-/m1/s1
InChIKeyZEOAMTWWLDATMW-SSDOTTSWSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.21
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 1-[methoxy(methylsulfanyl)phosphoryl]ethane?
The IUPAC name of 1-[methoxy(methylsulfanyl)phosphoryl]ethane (CID 162624021) is 1-[methoxy(methylsulfanyl)phosphoryl]ethane.
What is the SMILES notation for 1-[methoxy(methylsulfanyl)phosphoryl]ethane?
The canonical SMILES for 1-[methoxy(methylsulfanyl)phosphoryl]ethane is CC[P@@](=O)(OC)SC.
What is the InChIKey of 1-[methoxy(methylsulfanyl)phosphoryl]ethane?
The InChIKey is ZEOAMTWWLDATMW-SSDOTTSWSA-N. The full InChI is InChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3/t7-/m1/s1.
What are the key properties of 1-[methoxy(methylsulfanyl)phosphoryl]ethane?
1-[methoxy(methylsulfanyl)phosphoryl]ethane has a molecular weight of 154.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methylsulfanyl)phosphoryl]ethane is sourced from PubChem (CID 162624021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).