1-dihydroxyphosphinothioylethanamine

C2H8NO2PS — CID 11815457

IUPAC1-dihydroxyphosphinothioylethanamine
SMILESCC(N)P(O)(O)=S
InChIInChI=1S/C2H8NO2PS/c1-2(3)6(4,5)7/h2H,3H2,1H3,(H2,4,5,7)
InChIKeyMZBJETBJGMAQSM-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.41
Rot. Bonds1

About 1-dihydroxyphosphinothioylethanamine

1-dihydroxyphosphinothioylethanamine (PubChem CID 11815457) has the molecular formula C2H8NO2PS and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-dihydroxyphosphinothioylethanamine.

Molecular Properties

Compound Name1-dihydroxyphosphinothioylethanamine
PubChem CID11815457
Molecular FormulaC2H8NO2PS
Molecular Weight141.13 g/mol
Exact Mass141.00
IUPAC Name1-dihydroxyphosphinothioylethanamine
SMILESCC(N)P(O)(O)=S
InChIInChI=1S/C2H8NO2PS/c1-2(3)6(4,5)7/h2H,3H2,1H3,(H2,4,5,7)
InChIKeyMZBJETBJGMAQSM-UHFFFAOYSA-N
XLogP-0.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dihydroxyphosphinothioylethanamine?
The IUPAC name of 1-dihydroxyphosphinothioylethanamine (CID 11815457) is 1-dihydroxyphosphinothioylethanamine.
What is the SMILES notation for 1-dihydroxyphosphinothioylethanamine?
The canonical SMILES for 1-dihydroxyphosphinothioylethanamine is CC(N)P(O)(O)=S.
What is the InChIKey of 1-dihydroxyphosphinothioylethanamine?
The InChIKey is MZBJETBJGMAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2PS/c1-2(3)6(4,5)7/h2H,3H2,1H3,(H2,4,5,7).
What are the key properties of 1-dihydroxyphosphinothioylethanamine?
1-dihydroxyphosphinothioylethanamine has a molecular weight of 141.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihydroxyphosphinothioylethanamine is sourced from PubChem (CID 11815457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).