Basic information
- CAS
77248-43-2- Standard SMILES
CCCCCCOS(=O)N(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
UJDQAEDHCRZCCG-UHFFFAOYSA-N- Molecular formula
- C18H27NO5S
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.16099414
Names & identifiers
- Preferred name
- Carbamic acid, ((hexyloxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-hexoxysulfinyl-N-methylcarbamate
- English name
- ((Hexyloxy)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-ben zofuranyl ester
- Molecular formula
- C18H27NO5S
- Molecular weight
- 369.48
Names & synonyms
Carbamic acid, ((hexyloxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester77248-43-2((Hexyloxy)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331714DTXSID809984912,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(hexyloxy)sulfinyl](methyl)carbamate2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(hexyloxy)sulfinyl]methylcarbamate((Hexyloxy)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-ben zofuranyl esterCarbamic acid, [(hexyloxy)sulfinyl]methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (9CI)
Database identifiers
- CAS
77248-43-2- PubChem CID
- 53630
- DTXSID
DTXSID80998491
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 471.6 · 471.6±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- -2.85 · -2.85±0.70(Predicted)
- CAS DataBase Reference
- 77248 · 77248-43-2
Chemistry & industry
Applications
UsesAgricultural chemical.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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