Thorin

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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

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 Number	3688-92-4
PubChem CID	77269
IUPAC Name	disodium;4-[(2-arsonophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
Molecular Formula	C16H11AsN2Na2O10S2
Molecular Weight	576.3
Topological Polar Surface Area	234
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Heavy Atom Count	33
Formal Charge	0
Complexity	912

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

CAS: 3688-92-4

CID: 77269

Formula: C16H11AsN2Na2O10S2

MW: 576.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	576.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	3
Exact Mass	575.886645
Monoisotopic Mass	575.886645
Topological Polar Surface Area	234 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	912
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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12952521	Thorin
HY-W110882	Thorin, IND
242335-01	Thorin I
41862-01	Thorin extrapure AR
02691 00005	Thorin Indicator AR
322605-01	Thorin Indicator AR Reagent

Thorin

Chemical Information

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