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Structure

2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide

CAS
95235-16-8
Catalog Number
ACM95235168
Category
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What is the molecular formula of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The molecular formula is C12H14BrNS.

What is the molecular weight of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The molecular weight is 284.22 g/mol.

What is the IUPAC name of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The IUPAC name is 2,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide.

What is the InChI of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The InChI is InChI=1S/C12H14NS.BrH/c1-4-7-13-10(3)14-12-8-9(2)5-6-11(12)13;/h4-6,8H,1,7H2,2-3H3;1H/q+1;/p-1.

What is the InChIKey of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The InChIKey is XJTZTGAUBHBEBF-UHFFFAOYSA-M.

What is the Canonical SMILES of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The Canonical SMILES is CC1=CC2=C(C=C1)[N+](=C(S2)C)CC=C.[Br-].

How many hydrogen bond donor counts does 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide have?

It has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide?

The topological polar surface area is 32.1 Ų.

Is 2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide considered a canonicalized compound?

Yes, it is considered a canonicalized compound.

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