bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid

C16H13IO7PS2W — CID 88632552

IUPACbis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid
SMILESO=P(O)(O)O.O=[W](=O)[O-].c1ccc2sc([I+]c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C16H10IS2.H3O4P.3O.W/c1-3-7-13-11(5-1)9-15(18-13)17-16-10-12-6-2-4-8-14(12)19-16;1-5(2,3)4;;;;/h1-10H;(H3,1,2,3,4);;;;/q+1;;;;-1;
InChIKeyVOIXEXUVEBBSJO-UHFFFAOYSA-N
MW723.12 g/mol
LogP-0.11
Rot. Bonds2

About bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid

bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid (PubChem CID 88632552) has the molecular formula C16H13IO7PS2W and a molecular weight of 723.12 g/mol. Its IUPAC name is bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid.

Molecular Properties

Compound Namebis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid
PubChem CID88632552
Molecular FormulaC16H13IO7PS2W
Molecular Weight723.12 g/mol
Exact Mass722.84
IUPAC Namebis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid
SMILESO=P(O)(O)O.O=[W](=O)[O-].c1ccc2sc([I+]c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C16H10IS2.H3O4P.3O.W/c1-3-7-13-11(5-1)9-15(18-13)17-16-10-12-6-2-4-8-14(12)19-16;1-5(2,3)4;;;;/h1-10H;(H3,1,2,3,4);;;;/q+1;;;;-1;
InChIKeyVOIXEXUVEBBSJO-UHFFFAOYSA-N
XLogP-0.11
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500723.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1-benzothiophen-2-yl)methanone
CID 5330534
CID 175606657
CID 175606657
[2-(1-benzothiophen-2-ylamino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid
CID 14151783
1-benzothiophene-2-sulfonyl chloride
CID 2776333
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
3-(2-oxothiochromene-3-carbonyl)thiochromen-2-one
CID 67007318
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
2-(2-azidoethyl)-1-benzothiophene
CID 150941622
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
N'-hydroxy-1-benzothiophene-2-carboximidamide
CID 6161317
bis(1,3-benzothiazol-2-amine);phosphoric acid
CID 175581696

Frequently Asked Questions

What is the IUPAC name of bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid?
The IUPAC name of bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid (CID 88632552) is bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid.
What is the SMILES notation for bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid?
The canonical SMILES for bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid is O=P(O)(O)O.O=[W](=O)[O-].c1ccc2sc([I+]c3cc4ccccc4s3)cc2c1.
What is the InChIKey of bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid?
The InChIKey is VOIXEXUVEBBSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IS2.H3O4P.3O.W/c1-3-7-13-11(5-1)9-15(18-13)17-16-10-12-6-2-4-8-14(12)19-16;1-5(2,3)4;;;;/h1-10H;(H3,1,2,3,4);;;;/q+1;;;;-1;.
What are the key properties of bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid?
bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid has a molecular weight of 723.12 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-benzothiophen-2-yl)iodanium;oxido(dioxo)tungsten;phosphoric acid is sourced from PubChem (CID 88632552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).