methyl-(2-sulfanylethylamino)phosphinate

C3H9NO2PS- — CID 58692168

IUPACmethyl-(2-sulfanylethylamino)phosphinate
SMILESCP(=O)([O-])NCCS
InChIInChI=1S/C3H10NO2PS/c1-7(5,6)4-2-3-8/h8H,2-3H2,1H3,(H2,4,5,6)/p-1
InChIKeyUZFLGPCVBADSCV-UHFFFAOYSA-M
MW154.15 g/mol
LogP-0.31
Rot. Bonds3

About methyl-(2-sulfanylethylamino)phosphinate

methyl-(2-sulfanylethylamino)phosphinate (PubChem CID 58692168) has the molecular formula C3H9NO2PS- and a molecular weight of 154.15 g/mol. Its IUPAC name is methyl-(2-sulfanylethylamino)phosphinate.

Molecular Properties

Compound Namemethyl-(2-sulfanylethylamino)phosphinate
PubChem CID58692168
Molecular FormulaC3H9NO2PS-
Molecular Weight154.15 g/mol
Exact Mass154.01
IUPAC Namemethyl-(2-sulfanylethylamino)phosphinate
SMILESCP(=O)([O-])NCCS
InChIInChI=1S/C3H10NO2PS/c1-7(5,6)4-2-3-8/h8H,2-3H2,1H3,(H2,4,5,6)/p-1
InChIKeyUZFLGPCVBADSCV-UHFFFAOYSA-M
XLogP-0.31
TPSA52.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(2-sulfanylethylamino)phosphinate?
The IUPAC name of methyl-(2-sulfanylethylamino)phosphinate (CID 58692168) is methyl-(2-sulfanylethylamino)phosphinate.
What is the SMILES notation for methyl-(2-sulfanylethylamino)phosphinate?
The canonical SMILES for methyl-(2-sulfanylethylamino)phosphinate is CP(=O)([O-])NCCS.
What is the InChIKey of methyl-(2-sulfanylethylamino)phosphinate?
The InChIKey is UZFLGPCVBADSCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10NO2PS/c1-7(5,6)4-2-3-8/h8H,2-3H2,1H3,(H2,4,5,6)/p-1.
What are the key properties of methyl-(2-sulfanylethylamino)phosphinate?
methyl-(2-sulfanylethylamino)phosphinate has a molecular weight of 154.15 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-sulfanylethylamino)phosphinate is sourced from PubChem (CID 58692168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).