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Basic information
- CAS
60517-00-2- Standard SMILES
COC(=O)C(=C1NCCCS1)[N+](=O)[O-]- InChIKey
CUJYZZFWQJCHPA-UHFFFAOYSA-N- Molecular formula
- C7H10N2O4S
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.0361278
Names & identifiers
- Preferred name
- Methyl nitro(1,3-thiazinan-2-ylidene)acetate
- IUPAC
- methyl 2-nitro-2-(1,3-thiazinan-2-ylidene)acetate
Names & synonyms
60517-00-2Methyl nitro(1,3-thiazinan-2-ylidene)acetateSCHEMBL10812670DTXSID50821989CUJYZZFWQJCHPA-UHFFFAOYSA-Nmethyl nitro(tetrahydro-2H-1,3-thiazin-2-ylidene)-acetatemethyl nitro(tetrahydro-2H-1,3-thiazin-2-ylidene)acetate
Database identifiers
- CAS
60517-00-2- PubChem CID
- 71400745
- DTXSID
DTXSID50821989
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 284
Related reactions
11 records
Compound notes
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