Basic information
- CAS
33328-51-7- Standard SMILES
CC(=O)CCC(C)(C)c1nc2sc(C(C)(C)CCC(C)=O)nc2s1- InChIKey
KFDIYXKEXSLCTH-UHFFFAOYSA-N- Molecular formula
- C18H26N2O2S2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.14357042
Names & identifiers
- Preferred name
- 2-Hexanone, 5,5'-thiazolo(5,4-d)thiazole-2,5-diylbis(5-methyl-
- IUPAC
- 5-methyl-5-[5-(2-methyl-5-oxohexan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]hexan-2-one
Names & synonyms
2-Hexanone, 5,5'-thiazolo(5,4-d)thiazole-2,5-diylbis(5-methyl-33328-51-75,5'-Thiazolo(5,4-d)thiazole-2,5-diylbis(5-methyl-2-hexanone)DTXSID80186952RefChem:261426DTXCID201094435,5'-([1,3]Thiazolo[5,4-d][1,3]thiazole-2,5-diyl)bis(5-methylhexan-2-one)
Database identifiers
- CAS
33328-51-7- PubChem CID
- 214514
- DTXSID
DTXSID80186952
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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