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Structure

Thiohomophthalimide

CAS
938-38-5
Catalog Number
ACM938385
Category
Other Products
Molecular Weight
177.22300
Molecular Formula
C9H7NOS

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Specification

Synonyms
3(2H)-ISOQUINOLINONE, 1,4-DIHYDRO-1-THIOXO-; 1-Thioxo-1,4-dihydro-2H-isoquinolin-3-one; 1,3(2H,4H)-Isoquinolinedione, 1-thio-;
IUPAC Name
3(2H)-Isoquinolinone, 1,4-dihydro-1-thioxo-
Melting Point
221-222 °C
Density
1.35±0.1 g/cm³ (20 °C, 760 mmHg)
Exact Mass
177.02500
What is the molecular formula of thiohomophthalimide?

The molecular formula of thiohomophthalimide is C9H5NO2S.

When was thiohomophthalimide first created?

Thiohomophthalimide was first created on December 11, 2015.

What is the molecular weight of thiohomophthalimide?

The molecular weight of thiohomophthalimide is 191.21 g/mol.

What is the IUPAC name of thiohomophthalimide?

The IUPAC name of thiohomophthalimide is 4-sulfanylideneisoquinoline-1,3-dione.

How many hydrogen bond donor counts does thiohomophthalimide have?

Thiohomophthalimide has 1 hydrogen bond donor count.

What is the canonical SMILES of thiohomophthalimide?

The canonical SMILES of thiohomophthalimide is C1=CC=C2C(=C1)C(=S)C(=O)NC2=O.

What is the topological polar surface area of thiohomophthalimide?

The topological polar surface area of thiohomophthalimide is 78.3 Ų.

How many rotatable bond counts does thiohomophthalimide have?

Thiohomophthalimide has 0 rotatable bond counts.

What is the InChIKey of thiohomophthalimide?

The InChIKey of thiohomophthalimide is KPZBEJZGJNZZBJ-UHFFFAOYSA-N.

Is thiohomophthalimide a canonicalized compound?

Yes, thiohomophthalimide is a canonicalized compound.

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