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Riluzole

CAT: 0572-TRC-R510000-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R510000-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1744-22-5
Synonyms
6-(Trifluoromethoxy)-2-benzothiazolamine; Benzothiazole, 2-amino-6-(trifluoromethoxy)- (7CI,8CI); 2-Amino-6-(trifluoromethoxy)benzothiazole; 6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine; 6-(Trifluoromethoxy)-1,3-benzothiazol-2-ylamine; 6-(Trifluoromethoxy)-2-aminobenzothiazole; 6-Trifluoromethoxybenzo[d]thiazol-2-amine; 6-Trifluoromethoxybenzothiazol-2-ylamine; PK 26124; RP 54274; Rilutek; Rilutor; Riluzole
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1nc2ccc(OC(F)(F)F)cc2s1
Molecular Formula
C8 H5 F3 N2 O S
Molecular Weight
234.2
InChI
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
Additionnal Information
IUPAC name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Riluzole

Riluzole is a member of benzothiazoles.

CAS Number1744-22-5
PubChem CID5070
IUPAC Name6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Molecular FormulaC8H5F3N2OS
Molecular Weight234.20
XLogP3.6
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity238
SMILES
C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
InChI
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChIKey
FTALBRSUTCGOEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Riluzole
CAS: 1744-22-5
CID: 5070
Formula: C8H5F3N2OS
MW: 234.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.20
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass234.00746845
Monoisotopic Mass234.00746845
Topological Polar Surface Area76.4 Ų
Heavy Atom Count15
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-201081ARiluzole

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