2-m-Tolyl-thiazole-4-carbaldehyde

CAS

92422-79-2

Catalog Number

ACM92422792

Category

Other Products

Molecular Weight

203.26

Molecular Formula

C₁₁H₉NOS

MSDS COA Spec Sheet

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Specification

Synonyms

2-M-tolyl-thiazole-4-carbaldehyde, 92422-79-2, 2-m-Tolylthiazole-4-carbaldehyde, 2-(m-Tolyl)thiazole-4-carbaldehyde, AGN-PC-0005PT, CTK5H1242, ANW-60882, AKOS000320869, AB27003, AG-H-78831, RP04429, AK-79225, KB-25637, FT-0692596, Y5658, 4-Thiazolecarboxaldehyde, 2-(3-methylphenyl)-, 2-(3-METHYLPHENYL)-1,3-THIAZOLE-4-CARBALDEHYDE

IUPAC Name

2-(3-methylphenyl)-1,3-thiazole-4-carbaldehyde

Canonical SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)C=O

InChI Key

FRSDKJVLVWGYEI-UHFFFAOYSA-N

Boiling Point

373.467ºC at 760 mmHg

Flash Point

179.667ºC

Density

1.229g/cm³

Exact Mass

203.04000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The molecular formula of 2-m-Tolyl-thiazole-4-carbaldehyde is C11H9NOS.

When was 2-m-Tolyl-thiazole-4-carbaldehyde created and last modified according to the reference?

2-m-Tolyl-thiazole-4-carbaldehyde was created on 2007-02-09 and last modified on 2023-12-30.

What is the IUPAC name of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The IUPAC name of 2-m-Tolyl-thiazole-4-carbaldehyde is 2-(3-methylphenyl)-1,3-thiazole-4-carbaldehyde.

What is the InChIKey of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The InChIKey of 2-m-Tolyl-thiazole-4-carbaldehyde is FRSDKJVLVWGYEI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The canonical SMILES of 2-m-Tolyl-thiazole-4-carbaldehyde is CC1=CC(=CC=C1)C2=NC(=CS2)C=O.

What is the XLogP3-AA value of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The XLogP3-AA value of 2-m-Tolyl-thiazole-4-carbaldehyde is 2.8.

How many hydrogen bond acceptor counts does 2-m-Tolyl-thiazole-4-carbaldehyde have according to the reference?

2-m-Tolyl-thiazole-4-carbaldehyde has 3 hydrogen bond acceptor counts.

What is the topological polar surface area value of 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

The topological polar surface area value of 2-m-Tolyl-thiazole-4-carbaldehyde is 58.2 Å².

How many heavy atoms are present in 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

There are 14 heavy atoms present in 2-m-Tolyl-thiazole-4-carbaldehyde.

Is the compound canonicalized for 2-m-Tolyl-thiazole-4-carbaldehyde according to the reference?

Yes, the compound is canonicalized for 2-m-Tolyl-thiazole-4-carbaldehyde.