3-Methylisothiazole

• Catalog Number: ACM693925
• Product Name: 3-Methylisothiazole
• CAS: 693-92-5
• Category: Main Products
• Synonyms: 3-METHYLISOTHIAZOLE;3-methyl-1,2-thiazole
• IUPAC Name: 3-methyl-1,2-thiazole
• Molecular Weight: 99.15
• Molecular Formula: C₄H₅NS
• Canonical SMILES: CC1=NSC=C1
• InChI Key: WOTIUKDGJBXFLG-UHFFFAOYSA-N
• Boiling Point: 49.7ºC at 760 mmHg
• Density: 1.121g/cm³
• Exact Mass: 99.01430
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 3-Methylisothiazole?

The molecular formula of 3-Methylisothiazole is C4H5NS.

What are the synonyms for 3-Methylisothiazole?

The synonyms for 3-Methylisothiazole are 3-methyl-1,2-thiazole, 3-METHYL-ISOTHIAZOLE, and Isothiazole, 3-methyl-.

What is the molecular weight of 3-Methylisothiazole?

The molecular weight of 3-Methylisothiazole is 99.16 g/mol.

What is the IUPAC name of 3-Methylisothiazole?

The IUPAC name of 3-Methylisothiazole is 3-methyl-1,2-thiazole.

What is the InChI of 3-Methylisothiazole?

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

What is the InChIKey of 3-Methylisothiazole?

The InChIKey of 3-Methylisothiazole is WOTIUKDGJBXFLG-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Methylisothiazole?

The Canonical SMILES of 3-Methylisothiazole is CC1=NSC=C1.

What is the CAS number of 3-Methylisothiazole?

The CAS number of 3-Methylisothiazole is 693-92-5.

What is the European Community (EC) number of 3-Methylisothiazole?

The European Community (EC) number of 3-Methylisothiazole is 879-123-4.

What is the topological polar surface area of 3-Methylisothiazole?

The topological polar surface area of 3-Methylisothiazole is 41.1Ų.