Basic information
- CAS
50539-69-0- Standard SMILES
Cc1ccc(SCNC(=O)Oc2cccc3c2OC(C)(C)C3)c(C)c1- InChIKey
LAXDTMJGIUNKFN-UHFFFAOYSA-N- Molecular formula
- C20H23NO3S
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.13986477
Names & identifiers
- Preferred name
- Carbamic acid, ((2,4-dimethylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(2,4-dimethylphenyl)sulfanylmethyl]carbamate
Names & synonyms
50539-69-0Carbamic acid, ((2,4-dimethylphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester((2,4-Xylyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID70198549((2,4-Dimethylphenyl)thio)methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331672DTXCID801210402,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(2,4-dimethylphenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-69-0- PubChem CID
- 39693
- DTXSID
DTXSID70198549
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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