4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
Basic information
- CAS
135489-11-1- Standard SMILES
CCCSc1snc(SCC#N)c1C#N- InChIKey
PALCYAFNXXYZPC-UHFFFAOYSA-N- Molecular formula
- C9H9N3S3
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 254.99586082
Names & identifiers
- Preferred name
- 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
- IUPAC
- 3-(cyanomethylsulfanyl)-5-propylsulfanyl-1,2-thiazole-4-carbonitrile
Names & synonyms
BRN 4254497135489-11-14-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-3-((Cyanomethyl)thio)-5-(propylthio)-4-isothiazolecarbonitrileDTXSID90159410RefChem:293654DTXCID20819013-[(CYANOMETHYL)SULFANYL]-5-(PROPYLSULFANYL)-1,2-THIAZOLE-4-CARBONITRILE
Database identifiers
- CAS
135489-11-1- PubChem CID
- 3077779
- DTXSID
DTXSID90159410
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
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Compound notes
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