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Riluzole Hydrochloride

CAT: 0572-TRC-R510030-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R510030-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
850608-87-6
Synonyms
6-(Trifluoromethoxy)-2-benzothiazolamine Monohydrochloride;
Hazard Statement
No Data Available
Smiles
NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2.Cl
Molecular Formula
C8H5F3N2OS • (HCl)
Molecular Weight
270.66
InChI
InChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
Additionnal Information
IUPAC name: 6-(trifluoromethoxy)benzo[d]thiazol-2-amine hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Riluzole hydrochloride
CAS Number850608-87-6
PubChem CID6419992
IUPAC Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
Molecular FormulaC8H6ClF3N2OS
Molecular Weight270.66
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity238
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N.Cl
InChI
InChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
InChIKey
QEAOELIJQRYJJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Riluzole hydrochloride
CAS: 850608-87-6
CID: 6419992
Formula: C8H6ClF3N2OS
MW: 270.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass269.9841462
Monoisotopic Mass269.9841462
Topological Polar Surface Area76.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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