4-Isothiazolecarbonitrile, 3,5-dimethyl-
Basic information
- CAS
13950-66-8- Standard SMILES
Cc1nsc(C)c1C#N- InChIKey
QOZDOEBUNQWUKA-UHFFFAOYSA-N- Molecular formula
- C6H6N2S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.02516937
Names & identifiers
- Preferred name
- 4-Isothiazolecarbonitrile, 3,5-dimethyl-
- IUPAC
- 3,5-dimethyl-1,2-thiazole-4-carbonitrile
- English name
- 4-Isothiazolecarbonitrile, 3,5-dimethyl-
- Molecular formula
- C6H6N2S
- Molecular weight
- 138.19
Names & synonyms
13950-66-84-Isothiazolecarbonitrile, 3,5-dimethyl-DTXSID30333590RefChem:293650DTXCID402846803,5-Dimethylisothiazole-4-carbonitriledimethyl-1,2-thiazole-4-carbonitrile3,5-dimethyl-1,2-thiazole-4-carbonitrileSCHEMBL8478500NAA95066AKOS022633718EN300-211210
Show more names
3,5-Dimethyl-4-isothiazolecarbonitrile
Z2063980255
Database identifiers
- CAS
13950-66-8- PubChem CID
- 512960
- DTXSID
DTXSID30333590- Nikkaji
- J2.077.722B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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