Basic information
- CAS
126520-14-7- Standard SMILES
CCOC(=O)c1c(N)sc(=S)c2c1CCC2- InChIKey
VWOJESZFVONLRW-UHFFFAOYSA-N- Molecular formula
- C11H13NO2S2
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.038771
Names & identifiers
- Preferred name
- Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylate
- IUPAC
- ethyl 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carboxylate
Names & synonyms
126520-14-7Ethyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta[c]thiopyran-4-carboxylateEthyl 3-amino-1,5,6,7-tetrahydro-1-thioxocyclopenta(c)thiopyran-4-carboxylateRefChem:343291MLS000071298SMR000034348Ethyl 3-amino-1-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carboxylateethyl 3-amino-1-thioxo-1,5,6,7-tetrahydrocyclopenta[c]thiopyran-4-carboxylateChemDiv3_002418ethyl 3-amino-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]thiopyran-4-carboxylateOprea1_229619cid_658981
Show more names
CHEMBL3392035BDBM48325DTXSID801139129HMS1479N20HMS2321C22STK830666AKOS001651012NCGC00018632-01
Database identifiers
- CAS
126520-14-7- PubChem CID
- 658981
- DTXSID
DTXSID801139129- ChEMBL
CHEMBL3392035
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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