Basic information
- CAS
76203-13-9- Standard SMILES
[C-]#[N+]C(=Cc1cccs1)C(=O)OC(C)C- InChIKey
GBZSMEBCRUGQAI-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- Propan-2-yl 2-isocyano-3-(thiophen-2-yl)prop-2-enoate
- IUPAC
- propan-2-yl 2-isocyano-3-thiophen-2-ylprop-2-enoate
Names & synonyms
76203-13-9Propan-2-yl 2-isocyano-3-(thiophen-2-yl)prop-2-enoateDTXSID80824504
Database identifiers
- CAS
76203-13-9- PubChem CID
- 71403608
- DTXSID
DTXSID80824504
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…