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Basic information
- CAS
50539-67-8- Standard SMILES
Cc1ccc(SN(C)C(=O)Oc2cccc3c2OC(C)(C)C3)cc1- InChIKey
TWFYTVQCMTWBHO-UHFFFAOYSA-N- Molecular formula
- C19H21NO3S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.12421453
Names & identifiers
- Preferred name
- Carbamic acid, methyl((4-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-(4-methylphenyl)sulfanylcarbamate
Names & synonyms
N-(4-Toluenesulfenyl)carbofuranCarbamic acid, methyl((4-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-67-8DTXSID501985472,3-Dihydro-2,2-dimethyl-7-benzofuranyl methyl((4-methylphenyl)thio)carbamateRefChem:332494DTXCID10121038SCHEMBL11771689TWFYTVQCMTWBHO-UHFFFAOYSA-N2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl methyl[(4-methylphenyl)sulfanyl]carbamate2,3-dihydro-2,2-dimethyl-7-benzofuranyl (methyl)(4-methylphenylthio)carbamate
Database identifiers
- CAS
50539-67-8- PubChem CID
- 39691
- DTXSID
DTXSID50198547- Nikkaji
- J69.340E
Properties
Computed structural propertiesFilling in
- 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
- 448
Related reactions
2 records
Compound notes
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