Basic information
- CAS
50539-81-6- Standard SMILES
CCSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
RJPCOPJDCSLQER-UHFFFAOYSA-N- Molecular formula
- C14H19NO3S
- Average molar mass
- 281.37 g/mol
- Monoisotopic mass
- 281.10856464
Names & identifiers
- Preferred name
- Carbamic acid, (ethylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-ethylsulfanyl-N-methylcarbamate
Names & synonyms
50539-81-6CARBAMIC ACID, (ETHYLTHIO)METHYL-, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL ESTER2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (ethylthio)methylcarbamateDTXSID90198561RefChem:332226DTXCID501210522,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl (ethylsulfanyl)(methyl)carbamate
Database identifiers
- CAS
50539-81-6- PubChem CID
- 39705
- DTXSID
DTXSID90198561- Nikkaji
- J67.610A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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