ST053552
Basic information
- CAS
91568-02-4- Standard SMILES
CCOC(=O)CSc1sc(C(=O)OCC)c(N)c1C#N- InChIKey
FSAZLDIEIKQKEG-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.03949928
Names & identifiers
- Preferred name
- ST053552
- IUPAC
- ethyl 3-amino-4-cyano-5-(2-ethoxy-2-oxoethyl)sulfanylthiophene-2-carboxylate
Names & synonyms
91568-02-4ST053552DTXSID60317161RefChem:381413DTXCID00268284HMS1544F18NSC312013TimTec1_003648AKOS004909308NSC-312013DS-011015ethyl 2-[4-amino-3-cyano-5-(ethoxycarbonyl)-2-thienylthio]acetate
Show more names
Ethyl 3-amino-4-cyano-5-(ethoxycarbonylmethylsulfanyl)thiophene-2-carboxylateETHYL 3-AMINO-4-CYANO-5-[(2-ETHOXY-2-OXOETHYL)SULFANYL]THIOPHENE-2-CARBOXYLATE
Database identifiers
- CAS
91568-02-4- PubChem CID
- 329422
- DTXSID
DTXSID60317161
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 410
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Related reactions
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Compound notes
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