magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)

C26H18MgN2O2S2+2 — CID 140661110

IUPACmagnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1
InChIInChI=1S/2C13H9NOS.Mg/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;/q;;+2
InChIKeyWGSXBSBHMRARIY-UHFFFAOYSA-N
MW478.88 g/mol
LogP4.53
Rot. Bonds2

About magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)

magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate) (PubChem CID 140661110) has the molecular formula C26H18MgN2O2S2+2 and a molecular weight of 478.88 g/mol. Its IUPAC name is magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate).

Molecular Properties

Compound Namemagnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)
PubChem CID140661110
Molecular FormulaC26H18MgN2O2S2+2
Molecular Weight478.88 g/mol
Exact Mass478.06
IUPAC Namemagnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)
SMILES[Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1
InChIInChI=1S/2C13H9NOS.Mg/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;/q;;+2
InChIKeyWGSXBSBHMRARIY-UHFFFAOYSA-N
XLogP4.53
TPSA74.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.88
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium;2-(1,3-benzothiazol-3-ium-2-yl)phenolate;quinolin-1-ium-8-olate
CID 161035519
beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate
CID 59219775
beryllium;2-(1,3-benzothiazol-3-ium-2-yl)-4-(9,9-dimethylfluoren-2-yl)phenolate;2-(1,3-benzothiazol-3-ium-2-yl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenolate
CID 140815318
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-ethenyl-1,3-benzothiazol-3-ium
CID 59991217
beryllium;2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate
CID 140815310
2-[6-(1,3-benzothiazol-3-ium-2-yl)hexyl]-1,3-benzothiazol-3-ium diperchlorate
CID 158784035
3-(1,3-benzothiazol-3-ium-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine chloride
CID 136505013
2-ethylsulfanyl-1,3-benzothiazol-3-ium
CID 3477999
triberyllium;2-(1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate;bis(2-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalen-1-ol);tris(2-(5-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);bis(2-(6-methyl-1,3-benzothiazol-3-ium-2-yl)naphthalen-1-olate);zinc
CID 162286536
azanium 2-phenylphenolate
CID 70290125
iron(2+);bis(2-phenylphenolate)
CID 158924180

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)?
The IUPAC name of magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate) (CID 140661110) is magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate).
What is the SMILES notation for magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)?
The canonical SMILES for magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate) is [Mg+2].[O-]c1ccccc1-c1[nH+]c2ccccc2s1.[O-]c1ccccc1-c1[nH+]c2ccccc2s1.
What is the InChIKey of magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)?
The InChIKey is WGSXBSBHMRARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NOS.Mg/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;/q;;+2.
What are the key properties of magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate)?
magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate) has a molecular weight of 478.88 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-(1,3-benzothiazol-3-ium-2-yl)phenolate) is sourced from PubChem (CID 140661110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).