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Structure

2(1H)-Quinoxalinethione,4-oxide

CAS
89939-20-8
Catalog Number
ACM89939208
Category
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What is the molecular formula of 2(1H)-Quinoxalinethione,4-oxide?

The molecular formula is C8H6N2OS.

What is the molecular weight of 2(1H)-Quinoxalinethione,4-oxide?

The molecular weight is 178.21 g/mol.

What is the IUPAC name of 2(1H)-Quinoxalinethione,4-oxide?

The IUPAC name is 4-oxido-1H-quinoxalin-4-ium-2-thione.

What is the InChIKey of 2(1H)-Quinoxalinethione,4-oxide?

The InChIKey is ZMJLPRXBHWNCAQ-UHFFFAOYSA-N.

What is the Canonical SMILES of 2(1H)-Quinoxalinethione,4-oxide?

The Canonical SMILES is C1=CC=C2C(=C1)NC(=S)C=[N+]2[O-].

What is the XLogP3-AA value for 2(1H)-Quinoxalinethione,4-oxide?

The XLogP3-AA value is 0.1.

How many hydrogen bond donor counts does 2(1H)-Quinoxalinethione,4-oxide have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 2(1H)-Quinoxalinethione,4-oxide have?

It has 2 hydrogen bond acceptor counts.

What is the exact mass of 2(1H)-Quinoxalinethione,4-oxide?

The exact mass is 178.02008399 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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