1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol

C8H8N2O4S — CID 54463532

IUPAC1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
SMILESOc1ccc(O)n1Sn1c(O)ccc1O
InChIInChI=1S/C8H8N2O4S/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-4,11-14H
InChIKeyXDGPXEMUMJKUAE-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.07
Rot. Bonds2

About 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol

1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol (PubChem CID 54463532) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
PubChem CID54463532
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
SMILESOc1ccc(O)n1Sn1c(O)ccc1O
InChIInChI=1S/C8H8N2O4S/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-4,11-14H
InChIKeyXDGPXEMUMJKUAE-UHFFFAOYSA-N
XLogP1.07
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) 3-[[3-(2,5-dihydroxypyrrol-1-yl)oxy-3-oxopropyl]disulfanyl]propanoate
CID 53941111
Bis(2,5-dihydroxypyrrol-1-yl) butanedioate
CID 54004295
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
(2,5-Dihydroxypyrrol-1-yl) thiocyanate
CID 91264717
1-Propylsulfanylpyrrole-2,5-diol
CID 124033477
1-Nitrosopyrrole-2,5-diol
CID 136025201
1-Fluoropyrrole-2,5-diol
CID 53873098

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol (CID 54463532) is 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol is Oc1ccc(O)n1Sn1c(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol?
The InChIKey is XDGPXEMUMJKUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c11-5-1-2-6(12)9(5)15-10-7(13)3-4-8(10)14/h1-4,11-14H.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol?
1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol has a molecular weight of 228.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol is sourced from PubChem (CID 54463532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).