CAS
916334-62-8 Purity
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916334-62-8 Purity
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2-Benzothiazolecarbonitrile,6-ethoxy-(7ci,9ci)
CAS
91634-13-8
Catalog Number
ACM91634138
Category
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What is the molecular formula of 2-Benzothiazolecarbonitrile, 6-ethoxy-(7ci,9ci)?
The molecular formula is C10H8N2OS.
When was the compound created and last modified?
The compound was created on 2010-03-29 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is 6-ethoxy-1,3-benzothiazole-2-carbonitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C10H8N2OS/c1-2-13-7-3-4-8-9(5-7)14-10(6-11)12-8/h3-5H,2H2,1H3.
What is the InChIKey of the compound?
The InChIKey is HYLRVONDRVTYHL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC1=CC2=C(C=C1)N=C(S2)C#N.
What is the molecular weight of the compound?
The molecular weight is 204.25 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 74.2 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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