Methyl alpha-mercaptofuran-2-butyrate

CAS

94042-80-5

Catalog Number

ACM94042805

Category

Other Products

Molecular Weight

200.254780 [g/mol]

Molecular Formula

C9H12O3S

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 301-746-2, Methyl alpha-mercaptofuran-2-butyrate, 94042-80-5

IUPAC Name

methyl 4-(furan-2-yl)-2-sulfanylbutanoate

Canonical SMILES

COC(=O)C(CCC1=CC=CO1)S

InChI Key

RDYFRAQZXXSAPX-UHFFFAOYSA-N

Boiling Point

299.1ºC at 760mmHg

Flash Point

134.7ºC

Density

1.161g/cm³

EC Number

301-746-2

Exact Mass

200.05100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Methyl alpha-mercaptofuran-2-butyrate?

The molecular formula is C9H12O3S.

What is the molecular weight of Methyl alpha-mercaptofuran-2-butyrate?

The molecular weight is 200.26 g/mol.

When was Methyl alpha-mercaptofuran-2-butyrate first created?

It was created on August 20, 2009.

What is the IUPAC name of Methyl alpha-mercaptofuran-2-butyrate?

The IUPAC name is methyl 4-(furan-2-yl)-2-sulfanylbutanoate.

What is the InChIKey of Methyl alpha-mercaptofuran-2-butyrate?

The InChIKey is RDYFRAQZXXSAPX-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Methyl alpha-mercaptofuran-2-butyrate?

The Canonical SMILES is COC(=O)C(CCC1=CC=CO1)S.

What is the CAS number of Methyl alpha-mercaptofuran-2-butyrate?

The CAS number is 94042-80-5.

How many hydrogen bond donor counts does Methyl alpha-mercaptofuran-2-butyrate have?

It has one hydrogen bond donor count.

What is the XLogP3-AA value of Methyl alpha-mercaptofuran-2-butyrate?

The XLogP3-AA value is 1.9.

Is Methyl alpha-mercaptofuran-2-butyrate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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