N-dihydroxyphosphinothioylethanamine

C2H8NO2PS — CID 20543050

IUPACN-dihydroxyphosphinothioylethanamine
SMILESCCNP(O)(O)=S
InChIInChI=1S/C2H8NO2PS/c1-2-3-6(4,5)7/h2H2,1H3,(H3,3,4,5,7)
InChIKeyNTPWLCKBIQPUGE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.19
Rot. Bonds2

About N-dihydroxyphosphinothioylethanamine

N-dihydroxyphosphinothioylethanamine (PubChem CID 20543050) has the molecular formula C2H8NO2PS and a molecular weight of 141.13 g/mol. Its IUPAC name is N-dihydroxyphosphinothioylethanamine.

Molecular Properties

Compound NameN-dihydroxyphosphinothioylethanamine
PubChem CID20543050
Molecular FormulaC2H8NO2PS
Molecular Weight141.13 g/mol
Exact Mass141.00
IUPAC NameN-dihydroxyphosphinothioylethanamine
SMILESCCNP(O)(O)=S
InChIInChI=1S/C2H8NO2PS/c1-2-3-6(4,5)7/h2H2,1H3,(H3,3,4,5,7)
InChIKeyNTPWLCKBIQPUGE-UHFFFAOYSA-N
XLogP-0.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylphosphoramidic Acid
CID 13511151
alpha-Propylaminophosphonic acid
CID 13511152
alpha-Propylaminophosphinic acid
CID 146036789
Phosphonothioic acid, (1-aminoethyl)-
CID 11815457
N-[hydroxy(methoxy)phosphinothioyl]ethanamine
CID 12873572
N-dihydroxyphosphinothioylbutan-2-amine
CID 18430306
N-dihydroxyphosphinothioylbutan-1-amine
CID 19882926
N-[methoxy(oxido)phosphinothioyl]ethanamine
CID 20337823
N-dihydroxyphosphinothioylpropan-1-amine
CID 20562403
Ethylaminophosphonous acid
CID 21692139
(Propan-2-ylamino)phosphonous acid
CID 22098155
N-dihydroxyphosphinothioylpropan-2-amine
CID 23446993

Frequently Asked Questions

What is the IUPAC name of N-dihydroxyphosphinothioylethanamine?
The IUPAC name of N-dihydroxyphosphinothioylethanamine (CID 20543050) is N-dihydroxyphosphinothioylethanamine.
What is the SMILES notation for N-dihydroxyphosphinothioylethanamine?
The canonical SMILES for N-dihydroxyphosphinothioylethanamine is CCNP(O)(O)=S.
What is the InChIKey of N-dihydroxyphosphinothioylethanamine?
The InChIKey is NTPWLCKBIQPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2PS/c1-2-3-6(4,5)7/h2H2,1H3,(H3,3,4,5,7).
What are the key properties of N-dihydroxyphosphinothioylethanamine?
N-dihydroxyphosphinothioylethanamine has a molecular weight of 141.13 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dihydroxyphosphinothioylethanamine is sourced from PubChem (CID 20543050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).