Basic information
- CAS
86627-73-8- Standard SMILES
CCCCCCOSSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
MRAMMPPESLZGCU-UHFFFAOYSA-N- Molecular formula
- C18H27NO4S2
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.13815069
Names & identifiers
- Preferred name
- Carbamic acid, ((hexyloxy)dithio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(hexoxydisulfanyl)-N-methylcarbamate
Names & synonyms
Carbamic acid, ((hexyloxy)dithio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester86627-73-8DTXSID502357242,3-Dihydro-2,2-dimethyl-7-benzofuranyl (hexyloxydisulfide)(methyl)carbamateRefChem:331713DTXCID801582152,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(hexyloxy)disulfanyl](methyl)carbamate
Database identifiers
- CAS
86627-73-8- PubChem CID
- 55522
- DTXSID
DTXSID50235724
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…