5-Methyl-isothiazole

• CAS: 693-97-0
• Catalog Number: ACM693970
• Category: Main Products
• Molecular Weight: 99.15
• Molecular Formula: C₄H₅NS
• Synonyms: 5-Methylisothiazole; 5-Methyl-isothiazol; 2,5-Dimethyl-isothiazolium; Isothiazole,5-methyl; Methyl-5 isothiazol; Methyl-5 isothiazole
• IUPAC Name: 5-methyl-1,2-thiazole
• Canonical SMILES: CC1=CC=NS1
• InChI Key: LBBKWEDRPDGXPM-UHFFFAOYSA-N
• Boiling Point: 145ºC at 760 mmHg
• Flash Point: 39.4ºC
• Density: 1.121g/cm³
• Exact Mass: 99.01430

Custom Q&A

What is the molecular formula of 5-Methyl-isothiazole?

The molecular formula of 5-Methyl-isothiazole is C4H5NS.

What are the synonyms of 5-Methyl-isothiazole?

The synonyms of 5-Methyl-isothiazole are 5-Methylisothiazole, Isothiazole, 5-methyl-, and 5-methyl-1,2-thiazole.

What is the molecular weight of 5-Methyl-isothiazole?

The molecular weight of 5-Methyl-isothiazole is 99.16 g/mol.

When was 5-Methyl-isothiazole created and modified?

5-Methyl-isothiazole was created on March 27, 2005, and last modified on October 21, 2023.

What is the IUPAC name of 5-Methyl-isothiazole?

The IUPAC name of 5-Methyl-isothiazole is 5-methyl-1,2-thiazole.

What is the InChI of 5-Methyl-isothiazole?

The InChI of 5-Methyl-isothiazole is InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3.

What is the InChIKey of 5-Methyl-isothiazole?

The InChIKey of 5-Methyl-isothiazole is LBBKWEDRPDGXPM-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 5-Methyl-isothiazole?

The Canonical SMILES representation of 5-Methyl-isothiazole is CC1=CC=NS1.

What is the CAS number of 5-Methyl-isothiazole?

The CAS number of 5-Methyl-isothiazole is 693-97-0.

What is the XLogP3-AA value of 5-Methyl-isothiazole?

The XLogP3-AA value of 5-Methyl-isothiazole is 1.4.