Basic information
- CAS
915395-43-6- Standard SMILES
N#Cc1c(Cl)nsc1-c1snc(Cl)c1C#N- InChIKey
DZYZRXFBUNYEAE-UHFFFAOYSA-N- Molecular formula
- C8Cl2N4S2
- Average molar mass
- 287.2 g/mol
- Monoisotopic mass
- 285.8941438
Names & identifiers
- Preferred name
- 3,3'-Dichloro[5,5'-biisothiazole]-4,4'-dicarbonitrile
- IUPAC
- 3-chloro-5-(3-chloro-4-cyano-1,2-thiazol-5-yl)-1,2-thiazole-4-carbonitrile
Names & synonyms
915395-43-63,3'-Dichloro(5,5'-biisothiazole)-4,4'-dicarbonitrile3,3'-Dichloro[5,5'-biisothiazole]-4,4'-dicarbonitrileRefChem:269903DTXSID3012165343,3'-Dichloro[5,5'-bi-1,2-thiazole]-4,4'-dicarbonitrile3,3a(2)-Dichloro[5,5a(2)-biisothiazole]-4,4a(2)-dicarbonitrile
Database identifiers
- CAS
915395-43-6- PubChem CID
- 16088158
- DTXSID
DTXSID301216534- Nikkaji
- J2.394.501K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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