Basic information
- CAS
24306-38-5- Standard SMILES
CSc1snc(SCC#N)c1C#N- InChIKey
GKJYQTIIZUVXPG-UHFFFAOYSA-N- Molecular formula
- C7H5N3S3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 226.96456069
Names & identifiers
- Preferred name
- 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(methylthio)-
- IUPAC
- 3-(cyanomethylsulfanyl)-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
Names & synonyms
BRN 593909024306-38-54-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(methylthio)-3-((Cyanomethyl)thio)-5-(methylthio)-4-isothiazolecarbonitrileDTXSID00179043RefChem:293653DTXCID301015343-[(cyanomethyl)sulfanyl]-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Database identifiers
- CAS
24306-38-5- PubChem CID
- 212486
- DTXSID
DTXSID00179043
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…