methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid

C10H9NO3PS2+ — CID 133064495

IUPACmethoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid
SMILESCOP(=O)(O)c1csc2sc3ccccc3[n+]12
InChIInChI=1S/C10H8NO3PS2/c1-14-15(12,13)9-6-16-10-11(9)7-4-2-3-5-8(7)17-10/h2-6H,1H3/p+1
InChIKeyGLTLMWGTYRDIFG-UHFFFAOYSA-O
MW286.29 g/mol
LogP2.16
Rot. Bonds2

About methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid

methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid (PubChem CID 133064495) has the molecular formula C10H9NO3PS2+ and a molecular weight of 286.29 g/mol. Its IUPAC name is methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid.

Molecular Properties

Compound Namemethoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid
PubChem CID133064495
Molecular FormulaC10H9NO3PS2+
Molecular Weight286.29 g/mol
Exact Mass285.98
IUPAC Namemethoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid
SMILESCOP(=O)(O)c1csc2sc3ccccc3[n+]12
InChIInChI=1S/C10H8NO3PS2/c1-14-15(12,13)9-6-16-10-11(9)7-4-2-3-5-8(7)17-10/h2-6H,1H3/p+1
InChIKeyGLTLMWGTYRDIFG-UHFFFAOYSA-O
XLogP2.16
TPSA50.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium bromide
CID 159534032
phenothiazin-10-ium 10-oxide
CID 91112491
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
2,3-dimethyl-1,3-benzothiazol-3-ium;hydroiodide
CID 126959882
3-ethyl-2-[(E)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium
CID 793062
methoxy-(2-methylsulfinylphenyl)phosphinic acid
CID 11424817
benzaldehyde;dimethyl hydrogen phosphate
CID 174541999
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
2,3-dimethyl-1,3-benzothiazol-3-ium;hydrogen sulfate
CID 12725856
3-methyl-2-methylsulfonyl-1,3-benzothiazol-3-ium
CID 66648437
[1,3]benzothiazolo[3,2-a]quinolin-12-ium chloride
CID 23321190
2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl benzoate chloride
CID 70617496

Frequently Asked Questions

What is the IUPAC name of methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid?
The IUPAC name of methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid (CID 133064495) is methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid.
What is the SMILES notation for methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid?
The canonical SMILES for methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid is COP(=O)(O)c1csc2sc3ccccc3[n+]12.
What is the InChIKey of methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid?
The InChIKey is GLTLMWGTYRDIFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8NO3PS2/c1-14-15(12,13)9-6-16-10-11(9)7-4-2-3-5-8(7)17-10/h2-6H,1H3/p+1.
What are the key properties of methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid?
methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid has a molecular weight of 286.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy([1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-yl)phosphinic acid is sourced from PubChem (CID 133064495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).