(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane

C4H12N2O4P2S2 — CID 3556214

IUPAC(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)N1CCN(P(O)(O)=S)CC1
InChIInChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14)
InChIKeyPYYOJJLHLOBGAB-UHFFFAOYSA-N
MW278.23 g/mol
LogP-0.98
Rot. Bonds2

About (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane

(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 3556214) has the molecular formula C4H12N2O4P2S2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID3556214
Molecular FormulaC4H12N2O4P2S2
Molecular Weight278.23 g/mol
Exact Mass277.97
IUPAC Name(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)N1CCN(P(O)(O)=S)CC1
InChIInChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14)
InChIKeyPYYOJJLHLOBGAB-UHFFFAOYSA-N
XLogP-0.98
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
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 (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane (CID 3556214) is (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane is OP(O)(=S)N1CCN(P(O)(O)=S)CC1.
What is the InChIKey of (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is PYYOJJLHLOBGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4P2S2/c7-11(8,13)5-1-2-6(4-3-5)12(9,10)14/h1-4H2,(H2,7,8,13)(H2,9,10,14).
What are the key properties of (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane?
(4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 278.23 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dihydroxyphosphinothioylpiperazin-1-yl)-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3556214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).