3-methyl-1,3-benzothiazol-3-ium-2-sulfonate
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3-methyl-1,3-benzothiazol-3-ium-2-sulfonate
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CAS No:
4706-29-0
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Formula:
C8H7NO3S2
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Chemical Name:
3-methyl-1,3-benzothiazol-3-ium-2-sulfonate
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Synonyms:
3-Methyl-2-sulphonatobenzothiazolium; 3-hydroxy-4-piperidino-1-butene; 1-piperidino-but-3-en-2-ol; EINECS 224-366-8; Benzothiazolium,3-methyl-2-sulfo-,inner salt;
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CAS No:
Computed Properties
Molecular Weight:287.69
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:287.0560502
Monoisotopic Mass:287.0560502
Topological Polar Surface Area:77.4
Heavy Atom Count:19
Complexity:313
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate
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