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Structure

3-Chloro-4-dimethylaminothioangelicin

CAS
90236-91-2
Catalog Number
ACM90236912
Category
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What is the molecular formula of 3-Chloro-4-dimethylaminothioangelicin according to the reference?

The molecular formula is C13H10ClNO2S.

When was 3-Chloro-4-dimethylaminothioangelicin created and modified?

It was created on August 8, 2005, and modified on December 30, 2023.

What is the IUPAC Name of 3-Chloro-4-dimethylaminothioangelicin?

The IUPAC Name is 3-chloro-4-(dimethylamino)thieno[2,3-h]chromen-2-one.

What is the InChIKey of 3-Chloro-4-dimethylaminothioangelicin?

The InChIKey is QTXQUPXOGACDSE-UHFFFAOYSA-N.

How many hydrogen bond acceptor counts does 3-Chloro-4-dimethylaminothioangelicin have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 3-Chloro-4-dimethylaminothioangelicin?

The topological polar surface area is 57.8 Å2.

How many rotatable bond counts does 3-Chloro-4-dimethylaminothioangelicin have?

It has 1 rotatable bond count.

Is 3-Chloro-4-dimethylaminothioangelicin a canonicalized compound?

Yes, it is a canonicalized compound.

What is the molecular weight of 3-Chloro-4-dimethylaminothioangelicin?

The molecular weight is 279.74 g/mol.

What is the CAS number of 3-Chloro-4-dimethylaminothioangelicin?

The CAS number is 90236-91-2.

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