Basic information
- CAS
69261-17-2- Standard SMILES
COC(=O)CC1C(=S)Nc2ccccc21- InChIKey
HSUWGLPKYSSVBN-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester
- IUPAC
- methyl 2-(2-sulfanylidene-1,3-dihydroindol-3-yl)acetate
Names & synonyms
69261-17-21H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester2-thioxo-1H-indole-3-alkanoic acid deriv. 7BDBM3958CHEMBL312001SCHEMBL1388345DTXSID40416166methyl 2-(2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetateMethyl 2,3-Dihydro-2-thioxo-1H-indole-3-acetateMethyl (2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetate
Database identifiers
- CAS
69261-17-2- PubChem CID
- 5328537
- DTXSID
DTXSID40416166- ChEMBL
CHEMBL312001- Nikkaji
- J558.031E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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