Basic information
- CAS
10354-81-1- Standard SMILES
CCOC(=O)C(C#N)=C(S)SC- InChIKey
XMNDOEYOBXFILM-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S2
- Average molar mass
- 203.3 g/mol
- Monoisotopic mass
- 203.00747088
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl ester
- IUPAC
- ethyl 2-cyano-3-methylsulfanyl-3-sulfanylprop-2-enoate
Names & synonyms
10354-81-12-Propenoic acid, 2-cyano-3-mercapto-3-(methylthio)-, ethyl esterDTXSID40403990ETHYL 2-CYANO-3-(METHYLSULFANYL)-3-SULFANYLPROP-2-ENOATE
Database identifiers
- CAS
10354-81-1- PubChem CID
- 4530483
- DTXSID
DTXSID40403990
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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