Carbamic acid, ((2,6-dimethylphenoxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Basic information
- CAS
77248-44-3- Standard SMILES
Cc1cccc(C)c1OS(=O)CNC(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
KJJFKUNWUUREDO-UHFFFAOYSA-N- Molecular formula
- C20H23NO5S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.12969401
Names & identifiers
- Preferred name
- Carbamic acid, ((2,6-dimethylphenoxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,6-dimethylphenyl) [(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methanesulfinate
Names & synonyms
((2,6-Xylyl)sulfinyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:33167577248-44-3Carbamic acid, ((2,6-dimethylphenoxy)sulfinyl)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID409984922,6-Dimethylphenyl ({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy](hydroxy)methylidene}amino)methanesulfinate
Database identifiers
- CAS
77248-44-3- PubChem CID
- 53631
- DTXSID
DTXSID40998492
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
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Compound notes
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