5-Mesyl-2-[(2-nitrophenyl)thio]aniline

CAS
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Purity
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CAS
93778-19-9
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM93778199

Product Name

5-Mesyl-2-[(2-nitrophenyl)thio]aniline

Structure

Structure

CAS

93778-19-9

Category

Heterocyclic Organic Compound

Synonyms

EINECS 298-153-3, CID3022327, 5-Mesyl-2-((2-nitrophenyl)thio)aniline, 93778-19-9

IUPAC Name

5-methylsulfonyl-2-(2-nitrophenyl)sulfanylaniline

Molecular Weight

324.375380 [g/mol]

Molecular Formula

C₁₃H₁₂N₂O₄S₂

Canonical SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])N

InChI Key

QVTHYCXLXGKSTI-UHFFFAOYSA-N

Boiling Point

535.1ºC at 760mmHg

Flash Point

277.4ºC

Density

1.51g/cm³

EC Number

298-153-3

Exact Mass

324.02400

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The molecular formula is C13H12N2O4S2.

When was the chemical first created and when was it last modified?

The chemical was created on August 8, 2005, and last modified on December 30, 2023.

What is the IUPAC name of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The IUPAC name is 5-methylsulfonyl-2-(2-nitrophenyl)sulfanylaniline.

What is the InChI of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The InChI is InChI=1S/C13H12N2O4S2/c1-21(18,19)9-6-7-12(10(14)8-9)20-13-5-3-2-4-11(13)15(16)17/h2-8H,14H2,1H3.

What is the molecular weight of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The molecular weight is 324.4 g/mol.

What is the Canonical SMILES of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The Canonical SMILES is CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])N.

What is the CAS number of 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

The CAS number is 93778-19-9.

How many hydrogen bond donor counts are there in 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

There is 1 hydrogen bond donor count.

What is the hydrogen bond acceptor count in 5-Mesyl-2-[(2-nitrophenyl)thio]aniline?

There are 6 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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