Basic information
- CAS
50539-72-5- Standard SMILES
CC(C)c1ccccc1SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
AEMRNFFLKCWSDL-UHFFFAOYSA-N- Molecular formula
- C21H25NO3S
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.15551483
Names & identifiers
- Preferred name
- Carbamic acid, methyl((2-(1-methylethyl)phenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-propan-2-ylphenyl)sulfanylcarbamate
Names & synonyms
50539-72-5Carbamic acid, methyl((2-(1-methylethyl)phenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID00198552((2-Isopropylphenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:332482DTXCID601210432,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl{[2-(propan-2-yl)phenyl]sulfanyl}carbamate
Database identifiers
- CAS
50539-72-5- PubChem CID
- 39696
- DTXSID
DTXSID00198552
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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