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Structure

1-Oxa-4-thia-8-aza-spiro[4.6]undecane,hydrochloride

CAS
947534-13-6
Catalog Number
ACM947534136
Category
Other Products
Molecular Weight
209.73674
Molecular Formula
C8H16ClNOS

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Specification

Synonyms
1-Oxa-4-thia-8-aza-spiro[4.6]undecane, hydrochloride
What is the molecular formula of the compound?

The molecular formula is C8H16ClNOS.

What is the molecular weight of the compound?

The molecular weight is 209.74 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-oxa-4-thia-9-azaspiro[4.6]undecane; hydrochloride.

What is the InChI of the compound?

The InChI is InChI=1S/C8H15NOS.ClH/c1-2-8(3-5-9-4-1)10-6-7-11-8;/h9H,1-7H2;1H.

What is the InChIKey of the compound?

The InChIKey is FIHVXTSSAHIROG-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CC2(CCNC1)OCCS2.Cl.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 3.

How many rotatable bonds does the compound have?

The compound does not have any rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area is 46.6 Å2.

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