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Structure

[2-(Butyrylthio)ethyl]trimethylammonium bromide

CAS
94088-03-6
Catalog Number
ACM94088036
Category
Other Products
Molecular Weight
270.230200 [g/mol]
Molecular Formula
C9H20BrNOS
COA MSDS SDS Spec Sheet

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Specification

Synonyms
EINECS 301-999-9, CID3023458, (2-(Butyrylthio)ethyl)trimethylammonium bromide, 94088-03-6
IUPAC Name
2-butanoylsulfanylethyl(trimethyl)azanium bromide
SMILES
CCCC(=O)SCC[N+](C)(C)C.[Br-]
InChI Key
JLFDGMDQNMQCGF-UHFFFAOYSA-M
EC Number
301-999-9
Exact Mass
269.04500
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The molecular formula is C9H20BrNOS.

What is the molecular weight of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The molecular weight is 270.23 g/mol.

What is the IUPAC name of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The IUPAC name is 2-butanoylsulfanylethyl(trimethyl)azanium;bromide.

What is the InChIKey of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The InChIKey is JLFDGMDQNMQCGF-UHFFFAOYSA-M.

What is the Canonical SMILES of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The Canonical SMILES is CCCC(=O)SCC[N+](C)(C)C.[Br-].

What is the CAS number of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The CAS number is 94088-03-6.

How many hydrogen bond donor counts does [2-(Butyrylthio)ethyl]trimethylammonium bromide have?

It has 0 hydrogen bond donor count.

What is the exact mass of [2-(Butyrylthio)ethyl]trimethylammonium bromide?

The exact mass is 269.04490 g/mol.

How many rotatable bond counts does [2-(Butyrylthio)ethyl]trimethylammonium bromide have?

It has 6 rotatable bond counts.

Is [2-(Butyrylthio)ethyl]trimethylammonium bromide in canonicalized form?

Yes, it is in canonicalized form.

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