CAS
95233-37-7 Purity
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95233-37-7 Purity
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2,6-Dimethyl-3-(2-propenyl)benzothiazolium bromide
CAS
95235-16-8
Catalog Number
ACM95235168
Category
Other Products
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- Product Description
- Case Study
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- Synthetic Use
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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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