1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane

C5H13O3PS — CID 90315580

IUPAC1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane
SMILESCOSCCP(C)(=O)OC
InChIInChI=1S/C5H13O3PS/c1-7-9(3,6)4-5-10-8-2/h4-5H2,1-3H3
InChIKeyYKCMPJAIZKKMFZ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.84
Rot. Bonds5

About 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane

1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane (PubChem CID 90315580) has the molecular formula C5H13O3PS and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane
PubChem CID90315580
Molecular FormulaC5H13O3PS
Molecular Weight184.20 g/mol
Exact Mass184.03
IUPAC Name1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane
SMILESCOSCCP(C)(=O)OC
InChIInChI=1S/C5H13O3PS/c1-7-9(3,6)4-5-10-8-2/h4-5H2,1-3H3
InChIKeyYKCMPJAIZKKMFZ-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methoxy(methyl)phosphoryl]propanoic acid
CID 87778211
ethyl 3-[methoxy(methyl)phosphoryl]propanoate
CID 11019721
[methoxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 20667852
N,N-diethoxy-1-[methoxy(methyl)phosphoryl]methanamine
CID 174811065
[chloro(methyl)phosphoryl]oxymethane
CID 11499216
methane;[methoxy(methyl)phosphoryl]oxymethane
CID 161343110
CID 57459832
CID 57459832
1,2-bis[[methoxy(methyl)phosphoryl]oxy]ethane
CID 18714474
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dimethylphosphinate;methoxy(methyl)phosphinate
CID 161267325
formaldehyde;1-methoxy-2-methylsulfanylethane
CID 159879063
[chloro(methoxy)phosphoryl]-fluoromethane
CID 86095983

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane (CID 90315580) is 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane is COSCCP(C)(=O)OC.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane?
The InChIKey is YKCMPJAIZKKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3PS/c1-7-9(3,6)4-5-10-8-2/h4-5H2,1-3H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane?
1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane has a molecular weight of 184.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]-2-methoxysulfanylethane is sourced from PubChem (CID 90315580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).