Basic information
- CAS
87149-78-8- Standard SMILES
O=[N+]([O-])c1conc1CC1SCCCS1- InChIKey
BYVJIWNEFSQCHI-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3S2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.01328453
Names & identifiers
- Preferred name
- 3-[(1,3-Dithian-2-yl)methyl]-4-nitro-1,2-oxazole
- IUPAC
- 3-(1,3-dithian-2-ylmethyl)-4-nitro-1,2-oxazole
Names & synonyms
87149-78-83-((1,3-Dithian-2-yl)methyl)-4-nitroisoxazole3-[(1,3-Dithian-2-yl)methyl]-4-nitro-1,2-oxazoleDTXSID10519774
Database identifiers
- CAS
87149-78-8- PubChem CID
- 13123748
- DTXSID
DTXSID10519774
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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