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2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
[CAS# 63149-05-3]

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Identification
Name 2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
Synonyms 3-[2-(Methylthio)-1,3-Benzothiazol-3-Ium-3-Yl]Propane-1-Sulfonate; Bas 00009464; Mls000553298
Molecular Structure CAS#: 63149-05-3, 2-(Methylthio)-3-(3-Sulfopropyl)-Benzothiazolium Inner Salt
Molecular Formula C11H13NO3S3
Molecular Weight 303.41
CAS Registry Number 63149-05-3
EINECS 263-953-3
SMILES C1=CC=CC2=C1[N+](=C(SC)S2)CCC[S](=O)(=O)[O-]
InChI 1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey RREMLVIQMMQLLV-UHFFFAOYSA-N
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