Basic information
- CAS
39055-61-3- Standard SMILES
CCN(CC)C(=O)OC1(SC)C(=O)c2ccccc2C1=O- InChIKey
MHPHEJIHBWWNIB-UHFFFAOYSA-N- Molecular formula
- C15H17NO4S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.0878292
Names & identifiers
- Preferred name
- Carbamic acid, diethyl-, 2,3-dihydro-1,3-dioxo-2-(methylthio)-1H-inden-2-yl ester
- IUPAC
- (2-methylsulfanyl-1,3-dioxoinden-2-yl) N,N-diethylcarbamate
Names & synonyms
Carbamic acid, diethyl-, 2,3-dihydro-1,3-dioxo-2-(methylthio)-1H-inden-2-yl ester39055-61-32,3-Dihydro-2-methylthio-1,3-dioxoinden-2-yl-diethylcarbamateBRN 20030481,3-Dioxo-2-(methylthio)-2,3-dihydro-1H-inden-2-yl diethylcarbamateDTXSID701923052-(methylsulfanyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl diethylcarbamate
Database identifiers
- CAS
39055-61-3- PubChem CID
- 38211
- DTXSID
DTXSID70192305
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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