Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
CAS Registry Number®
6112-39-6
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CAS Name
Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)Molecular Formula
C8H8NS.C7H7O3SCite this Page
Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6112-39-6 (retrieved ) (CAS RN: 6112-39-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
InChIKey=VSLLSCGWLKZXJL-UHFFFAOYSA-M
SMILES
S(=O)(=O)([O-])C1=CC=C(C)C=C1.C[N+]=1C=2C(=CC=CC2)SC1
Canonical SMILES
O=S(=O)([O-])C1=CC=C(C=C1)C.S1C=[N+](C=2C=CC=CC12)C
Other Names for this Substance
- Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
- Benzothiazolium, 3-methyl-, p-toluenesulfonate
- 3-Methylbenzothiazolium p-toluenesulfonate
- Benzothiazolium, 3-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)