2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol

C11H18NO4PS2 — CID 87877864

IUPAC2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol
SMILESCNC(=O)CSP(=S)(OC)OC.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H12NO3PS2/c7-6-4-2-1-3-5-6;1-6-5(7)4-12-10(11,8-2)9-3/h1-5,7H;4H2,1-3H3,(H,6,7)
InChIKeyUTBUQEMPDKUQQV-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.38
Rot. Bonds5

About 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol

2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol (PubChem CID 87877864) has the molecular formula C11H18NO4PS2 and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol.

Molecular Properties

Compound Name2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol
PubChem CID87877864
Molecular FormulaC11H18NO4PS2
Molecular Weight323.38 g/mol
Exact Mass323.04
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol
SMILESCNC(=O)CSP(=S)(OC)OC.Oc1ccccc1
InChIInChI=1S/C6H6O.C5H12NO3PS2/c7-6-4-2-1-3-5-6;1-6-5(7)4-12-10(11,8-2)9-3/h1-5,7H;4H2,1-3H3,(H,6,7)
InChIKeyUTBUQEMPDKUQQV-UHFFFAOYSA-N
XLogP2.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.38
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;phenol?
The IUPAC name of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol (CID 87877864) is 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol.
What is the SMILES notation for 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol?
The canonical SMILES for 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol is CNC(=O)CSP(=S)(OC)OC.Oc1ccccc1.
What is the InChIKey of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol?
The InChIKey is UTBUQEMPDKUQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C5H12NO3PS2/c7-6-4-2-1-3-5-6;1-6-5(7)4-12-10(11,8-2)9-3/h1-5,7H;4H2,1-3H3,(H,6,7).
What are the key properties of 2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol?
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;phenol has a molecular weight of 323.38 g/mol, XLogP of 2.38, 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;phenol is sourced from PubChem (CID 87877864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).