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Tiron monohydrate

CAT: 0862-GK6289-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GK6289-25gSize:25 g
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CAS Number
149-45-1
EC Number
205-741-5
MDL Number
MFCD00007473
HS Code
29089900
Purity
98.00%
Molecular Formula
C6H4Na2O8S2 · H2O
Molecular Weight
332.22
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Tiron

Tiron is an organic molecular entity.

CAS Number149-45-1
PubChem CID9001
IUPAC Namedisodium;4,5-dihydroxybenzene-1,3-disulfonate
Molecular FormulaC6H4Na2O8S2
Molecular Weight314.2
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity413
SMILES
C1=C(C=C(C(=C1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2
InChIKey
ISWQCIVKKSOKNN-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Tiron
CAS: 149-45-1
CID: 9001
Formula: C6H4Na2O8S2
MW: 314.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass313.91429799
Monoisotopic Mass313.91429799
Topological Polar Surface Area172 Ų
Heavy Atom Count18
Formal Charge0
Complexity413
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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