Basic information
- CAS
50539-73-6- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSc3ccc(Cl)cc3)c2O1- InChIKey
FAXWCORADQOCMU-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3S
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.0695923
Names & identifiers
- Preferred name
- Carbamic acid, ((4-chlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[(4-chlorophenyl)sulfanylmethyl]carbamate
Names & synonyms
BRN 1398713Carbamic acid, ((4-chlorophenyl)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-73-6DTXSID601985532,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-methyl-N-p-chlorophenylthiocarbamate((4-Chlorophenyl)thio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331690DTXCID201210442,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(4-chlorophenyl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-73-6- PubChem CID
- 39697
- DTXSID
DTXSID60198553
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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