Basic information
- CAS
77248-42-1- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCS(=O)CNC(=O)Oc3cccc4c3OC(C)(C)C4)c2O1- InChIKey
BMDUNRRKTQQENX-UHFFFAOYSA-N- Molecular formula
- C24H28N2O7S
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.16172241
Names & identifiers
- Preferred name
- Carbamic acid, sulfinylbis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methylsulfinylmethyl]carbamate
- English name
- Carbamic acid, sulfinylbis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-ben zofuranyl)
- Molecular formula
- C24H28N2O7S
- Molecular weight
- 488.55
Names & synonyms
77248-42-1Carbamic acid, sulfinylbis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) esterDTXSID90227981Sulfinylbis(methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester)RefChem:332740DTXCID40150472Bis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) [sulfinylbis(methylene)]biscarbamateFenoxaprop-ethyl Impurity 9Carbamic acid, sulfinylbis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-ben zofuranyl)Carbamic acid, sulfinylbis[methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester (9CI)
Database identifiers
- CAS
77248-42-1- PubChem CID
- 53629
- DTXSID
DTXSID90227981
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Boiling point
- 598.9 · 598.9±60.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- -2.68 · -2.68±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…