3,5-Bis(methylthio)isothiazole-4-carbonitrile
3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-Bis(methylthio)isothiazole-4-carbonitrile|Maybridge1_007515|ChemDiv2_004033|3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile|TOSLAB 803524|HMS562N13|bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile|3,5-bis(methylsulfanyl)isothiazole-4-carbonitrile|3,5-Di(methylthio)isothiazole-4-carbonitrile|IDI1_002748|KS-0000240W|4-Isothiazolecarbonitrile, 3,5-bis(methylthio)-|3.5-Bis-methylmercapto-4-cyan-isothiazol|BAS 03218652|3,5-dimethylthioisothiazole-4-carbonitrile|3,5-Bis(methylthio)isothiazole-4-carbonitrile, tech|3,5-Bis-methylsulfanyl-isothiazole-4-carbonitrile|4-Isothiazolecarbonitrile,5-bis(methylthio)-|3,5-bis(methylthio)-4-isothiazolecarbonitrile|3,5-bis-(Methylthio)isothiazole-4-carbonitrile|4-Isothiazolecarbonitrile,3,5-bis(methylthio)-
| Molecular Formula | C6H6N2S3 |
|---|---|
| Molecular Weight | 201.96931 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.96931 |
| Monoisotopic Mass | 201.96931 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 4886-13-9 |
|---|---|
| SMILES | CSC1=C(C(=NS1)SC)C#N |
| InChIKey | BDBFZCOZJOTIFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(methylthio)isothiazole-4-carbonitrile (CAS 4886-13-9), with molecular formula C6H6N2S3 and molecular weight 201.96931 g/mol. IUPAC: 3,5-bis(methylsulfanyl)-1,2-thiazole-4-carbonitrile.
3,5-Bis(methylthio)isothiazole-4-carbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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