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Thorin

CAT: 0926-FT12466-03Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FT12466-03Size:2 g
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CAS Number
3688-92-4
Synonyms
2- (2-Hydroxy-3,6-disulfo-1-naphthylazo) benzenearsonic acid disodium; Disodium 1- (2-Arsonophenylazo) -2-naphthol-3,6-disulfonate;1- (2-A rsonophenylazo) -2-naphthol-3,6-disulfonic acid disodium; Aspan
MDL Number
MFCD00003888
Smiles
C1=CC=C (C (=C1) N=NC2=C3C=CC (=CC3=CC (=C2O) S (=O) (=O) [O-]) S (=O) (=O) [O-]) [As] (=O) (O) O.[Na+].[Na+]
Molecular Formula
C16H13AsN2O10S2•Na2
Molecular Weight
578.32 g/mol
Controlled
No

Chemical Information

Thorin

Thorin (also called Thoron or Thoronol) is a chemical compound of arsenic. It is used as an indicator used in the determination of barium, beryllium, lithium, uranium and thorium compounds. Arsenic is a chemical element that has the symbol As and atomic number 33. It is a poisonous metalloid that has many allotropic forms: yellow (molecular non-metallic) and several black and grey forms (metalloids) are a few that are seen. Three metalloidal forms of arsenic with different crystal structures are found free in nature (the minerals arsenopyrite and the much rarer arsenolamprite and pararsenolamprite), but it is more commonly found as a compound with other elements. (T3, L370)

CAS Number3688-92-4
PubChem CID77269
IUPAC Namedisodium;4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
Molecular FormulaC16H11AsN2Na2O10S2
Molecular Weight576.3
Topological Polar Surface Area234
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity912
SMILES
C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])[As](=O)(O)O.[Na+].[Na+]
InChI
InChI=1S/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
InChIKey
DCSRPHQBFSYJNN-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Thorin
CAS: 3688-92-4
CID: 77269
Formula: C16H11AsN2Na2O10S2
MW: 576.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass575.886645
Monoisotopic Mass575.886645
Topological Polar Surface Area234 Ų
Heavy Atom Count33
Formal Charge0
Complexity912
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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