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3-Methylisothiazole

CAS
693-92-5
Catalog Number
ACM693925
Category
Main Products
Molecular Weight
99.15
Molecular Formula
C4H5NS

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Specification

Synonyms
3-METHYLISOTHIAZOLE;3-methyl-1,2-thiazole
IUPAC Name
3-methyl-1,2-thiazole
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
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.

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