Thiocyanic acid, maleimido-methyl ester
Basic information
- CAS
104356-19-6- Standard SMILES
N#CSCN1C(=O)C=CC1=O- InChIKey
BQMAGTFGHBJXRV-UHFFFAOYSA-N- Molecular formula
- C6H4N2O2S
- Average molar mass
- 168.18 g/mol
- Monoisotopic mass
- 167.99934855
Names & identifiers
- Preferred name
- Thiocyanic acid, maleimido-methyl ester
- IUPAC
- (2,5-dioxopyrrol-1-yl)methyl thiocyanate
Names & synonyms
NSC19628104356-19-6Thiocyanic acid, maleimido-methyl ester(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)methyl thiocyanateDTXSID701199241NSC-19628(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl thiocyanate
Database identifiers
- CAS
104356-19-6- PubChem CID
- 227679
- DTXSID
DTXSID701199241- Nikkaji
- J801.037D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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