(2S)-N-dihydroxyphosphinothioylbutan-2-amine

C4H12NO2PS — CID 88688812

IUPAC(2S)-N-dihydroxyphosphinothioylbutan-2-amine
SMILESCC[C@H](C)NP(O)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-3-4(2)5-8(6,7)9/h4H,3H2,1-2H3,(H3,5,6,7,9)/t4-/m0/s1
InChIKeyWDLIHDIIUYNIJS-BYPYZUCNSA-N
MW169.19 g/mol
LogP0.58
Rot. Bonds3

About (2S)-N-dihydroxyphosphinothioylbutan-2-amine

(2S)-N-dihydroxyphosphinothioylbutan-2-amine (PubChem CID 88688812) has the molecular formula C4H12NO2PS and a molecular weight of 169.19 g/mol. Its IUPAC name is (2S)-N-dihydroxyphosphinothioylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-dihydroxyphosphinothioylbutan-2-amine
PubChem CID88688812
Molecular FormulaC4H12NO2PS
Molecular Weight169.19 g/mol
Exact Mass169.03
IUPAC Name(2S)-N-dihydroxyphosphinothioylbutan-2-amine
SMILESCC[C@H](C)NP(O)(O)=S
InChIInChI=1S/C4H12NO2PS/c1-3-4(2)5-8(6,7)9/h4H,3H2,1-2H3,(H3,5,6,7,9)/t4-/m0/s1
InChIKeyWDLIHDIIUYNIJS-BYPYZUCNSA-N
XLogP0.58
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.58
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

1,3-di(butan-2-yl)thiourea
CID 5366322
1-butan-2-yl-3-methylthiourea
CID 12906295
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane
CID 88788448
(butan-2-ylamino)methanol;ethane
CID 143420847
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
1-butan-2-yl-3-ethylthiourea
CID 19652064
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
N-[amino-[butan-2-yl(methyl)amino]phosphoryl]butan-2-amine
CID 18764103
N-butan-2-ylbutan-2-amine;sulfuric acid
CID 138397269
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626442
3-methylheptane;sulfane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173302962

Frequently Asked Questions

What is the IUPAC name of (2S)-N-dihydroxyphosphinothioylbutan-2-amine?
The IUPAC name of (2S)-N-dihydroxyphosphinothioylbutan-2-amine (CID 88688812) is (2S)-N-dihydroxyphosphinothioylbutan-2-amine.
What is the SMILES notation for (2S)-N-dihydroxyphosphinothioylbutan-2-amine?
The canonical SMILES for (2S)-N-dihydroxyphosphinothioylbutan-2-amine is CC[C@H](C)NP(O)(O)=S.
What is the InChIKey of (2S)-N-dihydroxyphosphinothioylbutan-2-amine?
The InChIKey is WDLIHDIIUYNIJS-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12NO2PS/c1-3-4(2)5-8(6,7)9/h4H,3H2,1-2H3,(H3,5,6,7,9)/t4-/m0/s1.
What are the key properties of (2S)-N-dihydroxyphosphinothioylbutan-2-amine?
(2S)-N-dihydroxyphosphinothioylbutan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-dihydroxyphosphinothioylbutan-2-amine is sourced from PubChem (CID 88688812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).