CAS
96166-00-6 Purity
96%
96166-00-6 Purity
96%
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2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine
CAS
96181-30-5
Catalog Number
ACM96181305
Category
Other Products
Molecular Weight
301.38
Molecular Formula
C12H15NO4S2
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Specification
Synonyms
2-METHYL-3-(3-SULFATOBUTYL)BENZOTHIAZOLIUM BETAINE
What is the molecular formula of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The molecular formula is C12H15NO4S2.
What are the synonyms of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The synonyms are 2-METHYL-3-(3-SULFATOBUTYL)BENZOTHIAZOLIUM BETAINE, 96181-30-5, 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butan-2-yl sulfate, and 4-(2-methylbenzo[d]thiazol-3-ium-3-yl)butan-2-yl sulfate.
What is the molecular weight of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The molecular weight is 301.4 g/mol.
What is the parent compound of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The parent compound is CID 90477797 (4-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)butan-2-yl hydrogen sulfate).
When was 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine created?
It was created on February 16, 2015.
When was 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine last modified?
It was last modified on December 30, 2023.
What is the IUPAC name of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The IUPAC name is 4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butan-2-yl sulfate.
What is the InChI of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The InChI is InChI=1S/C12H15NO4S2/c1-9(17-19(14,15)16)7-8-13-10(2)18-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3.
What is the InChIKey of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The InChIKey is KMADONQTCDRTFG-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Methyl-3-(3-sulfatobutyl)benzothiazolium betaine?
The Canonical SMILES is CC1=[N+](C2=CC=CC=C2S1)CCC(C)OS(=O)(=O)[O-].
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