Basic information
- CAS
50479-95-3- Standard SMILES
COc1ccc(SN(C)C(=O)Oc2cccc3c2OC(C)(C)C3)cc1- InChIKey
ZTWQRJRDZNARHT-UHFFFAOYSA-N- Molecular formula
- C19H21NO4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.11912932
Names & identifiers
- Preferred name
- Carbamic acid, ((4-methoxyphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(4-methoxyphenyl)sulfanyl-N-methylcarbamate
Names & synonyms
BRN 1400263Carbamic acid, ((4-methoxyphenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50479-95-3DTXSID80198499((4-Methoxyphenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331693DTXCID601209902,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl [(4-methoxyphenyl)sulfanyl](methyl)carbamate
Database identifiers
- CAS
50479-95-3- PubChem CID
- 39678
- DTXSID
DTXSID80198499
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…