3-Aminopropyl methanethiosulfonate,hydrobromide

CAS

92953-13-4

Catalog Number

ACM92953134

Category

Other Products

Molecular Weight

250.18

Molecular Formula

C₄H₁₂BrNO₂S₂

MSDS COA Spec Sheet

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Specification

Synonyms

MTSPA;3-AMINOPROPYL METHANETHIOSULFONATE, HYDROBROMIDE;3-AMINOPROPYL METHANETHIOSULPHONATE HYDROBROMIDE

IUPAC Name

3-methylsulfonylsulfanylpropan-1-amine;hydrobromide

Canonical SMILES

CS(=O)(=O)SCCCN.Br

InChI Key

SKVCHEKULNWKHX-UHFFFAOYSA-N

Boiling Point

339.6ºC at 760 mmHg

Flash Point

159.2ºC

Density

1.27g/cm³

Appearance

White Solid

Exact Mass

248.94900

H-Bond Acceptor

H-Bond Donor

What is the molecular weight of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The molecular weight of 3-Aminopropyl methanethiosulfonate, hydrobromide is 250.2 g/mol.

What is the IUPAC name of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The IUPAC name of 3-Aminopropyl methanethiosulfonate, hydrobromide is 3-methylsulfonothioyloxypropan-1-amine; hydrobromide.

What is the InChI of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The InChI of 3-Aminopropyl methanethiosulfonate, hydrobromide is InChI=1S/C4H11NO2S2.BrH/c1-9(6,8)7-4-2-3-5;/h2-5H2,1H3;1H.

What is the InChIKey of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The InChIKey of 3-Aminopropyl methanethiosulfonate, hydrobromide is WRAGHSOSSPSMJR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The canonical SMILES of 3-Aminopropyl methanethiosulfonate, hydrobromide is CS(=O)(=S)OCCCN.Br.

What is the molecular formula of 3-Aminopropyl methanethiosulfonate, hydrobromide?

The molecular formula of 3-Aminopropyl methanethiosulfonate, hydrobromide is C4H12BrNO2S2.

How many hydrogen bond donor counts are there in 3-Aminopropyl methanethiosulfonate, hydrobromide?

There are 2 hydrogen bond donor counts in 3-Aminopropyl methanethiosulfonate, hydrobromide.

How many hydrogen bond acceptor counts are there in 3-Aminopropyl methanethiosulfonate, hydrobromide?

There are 4 hydrogen bond acceptor counts in 3-Aminopropyl methanethiosulfonate, hydrobromide.

How many rotatable bond counts are there in 3-Aminopropyl methanethiosulfonate, hydrobromide?

There are 4 rotatable bond counts in 3-Aminopropyl methanethiosulfonate, hydrobromide.

Is 3-Aminopropyl methanethiosulfonate, hydrobromide considered canonicalized?

Yes, 3-Aminopropyl methanethiosulfonate, hydrobromide is considered canonicalized.