2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol

C7H18NO4PS2 — CID 175463799

IUPAC2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
SMILESCCO.CNC(=O)CSP(=S)(OC)OC
InChIInChI=1S/C5H12NO3PS2.C2H6O/c1-6-5(7)4-12-10(11,8-2)9-3;1-2-3/h4H2,1-3H3,(H,6,7);3H,2H2,1H3
InChIKeyUNKOPOMBWFEKIW-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.98
Rot. Bonds5

About 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol

2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol (PubChem CID 175463799) has the molecular formula C7H18NO4PS2 and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
PubChem CID175463799
Molecular FormulaC7H18NO4PS2
Molecular Weight275.33 g/mol
Exact Mass275.04
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol
SMILESCCO.CNC(=O)CSP(=S)(OC)OC
InChIInChI=1S/C5H12NO3PS2.C2H6O/c1-6-5(7)4-12-10(11,8-2)9-3;1-2-3/h4H2,1-3H3,(H,6,7);3H,2H2,1H3
InChIKeyUNKOPOMBWFEKIW-UHFFFAOYSA-N
XLogP0.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol (CID 175463799) is 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol is CCO.CNC(=O)CSP(=S)(OC)OC.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol?
The InChIKey is UNKOPOMBWFEKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3PS2.C2H6O/c1-6-5(7)4-12-10(11,8-2)9-3;1-2-3/h4H2,1-3H3,(H,6,7);3H,2H2,1H3.
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol?
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol has a molecular weight of 275.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;ethanol is sourced from PubChem (CID 175463799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).