2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide

C4H10NO4PS2 — CID 57305132

IUPAC2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide
SMILESCOCC(SP(O)(O)=S)C(N)=O
InChIInChI=1S/C4H10NO4PS2/c1-9-2-3(4(5)6)12-10(7,8)11/h3H,2H2,1H3,(H2,5,6)(H2,7,8,11)
InChIKeyJRDPXFMGOCZICM-UHFFFAOYSA-N
MW231.23 g/mol
LogP-0.57
Rot. Bonds5

About 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide

2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide (PubChem CID 57305132) has the molecular formula C4H10NO4PS2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide.

Molecular Properties

Compound Name2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide
PubChem CID57305132
Molecular FormulaC4H10NO4PS2
Molecular Weight231.23 g/mol
Exact Mass230.98
IUPAC Name2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide
SMILESCOCC(SP(O)(O)=S)C(N)=O
InChIInChI=1S/C4H10NO4PS2/c1-9-2-3(4(5)6)12-10(7,8)11/h3H,2H2,1H3,(H2,5,6)(H2,7,8,11)
InChIKeyJRDPXFMGOCZICM-UHFFFAOYSA-N
XLogP-0.57
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide?
The IUPAC name of 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide (CID 57305132) is 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide.
What is the SMILES notation for 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide?
The canonical SMILES for 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide is COCC(SP(O)(O)=S)C(N)=O.
What is the InChIKey of 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide?
The InChIKey is JRDPXFMGOCZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO4PS2/c1-9-2-3(4(5)6)12-10(7,8)11/h3H,2H2,1H3,(H2,5,6)(H2,7,8,11).
What are the key properties of 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide?
2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide has a molecular weight of 231.23 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphinothioylsulfanyl-3-methoxypropanamide is sourced from PubChem (CID 57305132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).