Basic information
- CAS
104867-27-8- Standard SMILES
Cc1cc(Cl)ccc1N=CN(C)SCNC(=O)Oc1cccc2c1OC(C)(C)C2- InChIKey
OIMJYRCMMNLSSG-UHFFFAOYSA-N- Molecular formula
- C21H24ClN3O3S
- Average molar mass
- 434 g/mol
- Monoisotopic mass
- 433.1226905
Names & identifiers
- Preferred name
- Carbamic acid, (((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Names & synonyms
104867-27-8Carbamic acid, (((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID001384728
Database identifiers
- CAS
104867-27-8- PubChem CID
- 59899
- DTXSID
DTXSID001384728
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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