europium(2+);bis(3,4,5-trihydroxythiobenzate)

C14H10EuO8S2 — CID 136597984

IUPACeuropium(2+);bis(3,4,5-trihydroxythiobenzate)
SMILESO=C([S-])c1cc(O)c(O)c(O)c1.O=C([S-])c1cc(O)c(O)c(O)c1.[Eu+2]
InChIInChI=1S/2C7H6O4S.Eu/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;/h2*1-2,8-10H,(H,11,12);/q;;+2/p-2
InChIKeyTVFHDPYBPXHHGK-UHFFFAOYSA-L
MW522.32 g/mol
LogP0.98
Rot. Bonds2

About europium(2+);bis(3,4,5-trihydroxythiobenzate)

europium(2+);bis(3,4,5-trihydroxythiobenzate) (PubChem CID 136597984) has the molecular formula C14H10EuO8S2 and a molecular weight of 522.32 g/mol. Its IUPAC name is europium(2+);bis(3,4,5-trihydroxythiobenzate).

Molecular Properties

Compound Nameeuropium(2+);bis(3,4,5-trihydroxythiobenzate)
PubChem CID136597984
Molecular FormulaC14H10EuO8S2
Molecular Weight522.32 g/mol
Exact Mass522.90
IUPAC Nameeuropium(2+);bis(3,4,5-trihydroxythiobenzate)
SMILESO=C([S-])c1cc(O)c(O)c(O)c1.O=C([S-])c1cc(O)c(O)c(O)c1.[Eu+2]
InChIInChI=1S/2C7H6O4S.Eu/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;/h2*1-2,8-10H,(H,11,12);/q;;+2/p-2
InChIKeyTVFHDPYBPXHHGK-UHFFFAOYSA-L
XLogP0.98
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.32
LogP ≤ 50.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze europium(2+);bis(3,4,5-trihydroxythiobenzate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

silver 3,4,5-trihydroxythiobenzate
CID 158274527
3,4,5-trihydroxybenzoic acid
CID 370
CID 173368262
CID 173368262
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
bismuthane;copper;3,4,5-trihydroxybenzoic acid
CID 175210163
strontium;hydride;3,4,5-trihydroxybenzoic acid
CID 173029021
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823
(3,4,5-trihydroxybenzoyl)azanide;zinc
CID 172717842
butane-1,4-diol;3,4,5-trihydroxybenzoic acid
CID 20505808

Frequently Asked Questions

What is the IUPAC name of europium(2+);bis(3,4,5-trihydroxythiobenzate)?
The IUPAC name of europium(2+);bis(3,4,5-trihydroxythiobenzate) (CID 136597984) is europium(2+);bis(3,4,5-trihydroxythiobenzate).
What is the SMILES notation for europium(2+);bis(3,4,5-trihydroxythiobenzate)?
The canonical SMILES for europium(2+);bis(3,4,5-trihydroxythiobenzate) is O=C([S-])c1cc(O)c(O)c(O)c1.O=C([S-])c1cc(O)c(O)c(O)c1.[Eu+2].
What is the InChIKey of europium(2+);bis(3,4,5-trihydroxythiobenzate)?
The InChIKey is TVFHDPYBPXHHGK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O4S.Eu/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;/h2*1-2,8-10H,(H,11,12);/q;;+2/p-2.
What are the key properties of europium(2+);bis(3,4,5-trihydroxythiobenzate)?
europium(2+);bis(3,4,5-trihydroxythiobenzate) has a molecular weight of 522.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for europium(2+);bis(3,4,5-trihydroxythiobenzate) is sourced from PubChem (CID 136597984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).