Basic information
- CAS
50539-68-9- Standard SMILES
Cc1cccc(SN(C)C(=O)Oc2cccc3c2OC(C)(C)C3)c1- InChIKey
IGASNWLZMMRZGJ-UHFFFAOYSA-N- Molecular formula
- C19H21NO3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.12421471
Names & identifiers
- Preferred name
- Carbamic acid, methyl((3-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(3-methylphenyl)sulfanylcarbamate
Names & synonyms
N-(3-Toluenesulfenyl)carbofuranCarbamic acid, methyl((3-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-68-9DTXSID101985482,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl((3-methylphenyl)thio)carbamateRefChem:332492DTXCID701210392,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(3-methylphenyl)sulfanyl]carbamate
Database identifiers
- CAS
50539-68-9- PubChem CID
- 39692
- DTXSID
DTXSID10198548- Nikkaji
- J69.339A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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