Basic information
- CAS
50722-74-2- Standard SMILES
Cc1ccccc1SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
AMFABWAJFRPEFZ-UHFFFAOYSA-N- Molecular formula
- C19H21NO3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.12421471
Names & identifiers
- Preferred name
- Carbamic acid, methyl((2-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(2-methylphenyl)sulfanylcarbamate
- English name
- 2,3-Dihydro-2,2-dimethylbenzofuran-7-yl=N-methyl-N-[(2-methylphenyl)thio]carbamate
- Molecular formula
- C19H21NO3S
- Molecular weight
- 343.44
Names & synonyms
N-(2-Toluenesulfenyl)carbofuranBRN 1398024Carbamic acid, methyl((2-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50722-74-2DTXSID801987772,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl((2-methylphenyl)thio)carbamateRefChem:332486DTXCID401212682,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(2-methylphenyl)sulfanyl]carbamate2,3-Dihydro-2,2-dimethylbenzofuran-7-yl=N-methyl-N-[(2-methylphenyl)thio]carbamateCarbamic acid, methyl[(2-methylphenyl)thio]-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester (9CI)
Database identifiers
- CAS
50722-74-2- PubChem CID
- 39770
- DTXSID
DTXSID80198777- Nikkaji
- J69.338C
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
1 records
Compound notes
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