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Structure

4-Thp-butyltosylate

CAS
97499-73-5
Catalog Number
ACM97499735
Category
Other Products
Molecular Weight
328.42
Molecular Formula
C16H24O5S

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Specification

Synonyms
4-THP-BUTYLTOSYLATE
What is the PubChem CID of the compound?

PubChem CID 88707047

What is the molecular formula of the compound?

The molecular formula is C16H24O5S.

What are the synonyms of the compound?

The synonyms of the compound are 4-THP-BUTYLTOSYLATE, 97499-73-5, 4-(oxan-2-yloxy)butyl 4-methylbenzenesulfonate, and SCHEMBL11016658.

What is the molecular weight of the compound?

The molecular weight is 328.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-(oxan-2-yloxy)butyl 4-methylbenzenesulfonate.

What is the InChI of the compound?

The InChI is InChI=1S/C16H24O5S/c1-14-7-9-15(10-8-14)22(17,18)21-13-5-4-12-20-16-6-2-3-11-19-16/h7-10,16H,2-6,11-13H2,1H3.

What is the InChIKey of the compound?

The InChIKey is AJNHWFXUFROOFB-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC2CCCCO2.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

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