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Structure

Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester

CAS
929-46-4
Catalog Number
ACM929464
Category
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What is the molecular formula of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The molecular formula is C19H41NO3S2.

What is the molecular weight of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The molecular weight is 395.7 g/mol.

What is the IUPAC name of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The IUPAC name is 1-(2-sulfosulfanylethylamino)heptadecane.

What is the InChI of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The InChI is InChI=1S/C19H41NO3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-24-25(21,22)23/h20H,2-19H2,1H3,(H,21,22,23).

What is the InChIKey of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The InChIKey is NOAOISNWUKHGKB-UHFFFAOYSA-N.

What is the canonical SMILES of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The canonical SMILES is CCCCCCCCCCCCCCCCCNCCSS(=O)(=O)O.

What is the CAS number of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The CAS number is 929-46-4.

What is the XLogP3-AA value of Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester?

The XLogP3-AA value is 5.1.

Is Thiosulfuric acid hydrogen s-[2-(heptadecylamino)ethyl]ester a canonicalized compound?

Yes, it is a canonicalized compound.

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