Basic information
- CAS
83333-19-1- Standard SMILES
CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2=O- InChIKey
LYOIJQLQVIQEJI-UHFFFAOYSA-N- Molecular formula
- C20H30N2O4S
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.19262862
Names & identifiers
- Preferred name
- Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3-oxo-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
Names & synonyms
83333-19-1DTXSID501003301Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-3-oxo-7-benzofuranyl ester2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl](methyl)carbamate2,2-Dimethyl-3-oxo-2,3-dihydro-1-benzofuran-7-yl [(dibutylamino)sulfanyl]methylcarbamate
Database identifiers
- CAS
83333-19-1- PubChem CID
- 187367
- DTXSID
DTXSID501003301
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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