Basic information
- CAS
104946-78-3- Standard SMILES
Cc1cc(Cl)ccc1N=CN(C)SCNC(=O)Oc1cccc(C(C)C)c1- InChIKey
MBIQQXANVFPOHW-UHFFFAOYSA-N- Molecular formula
- C20H24ClN3O2S
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1277759
Names & identifiers
- Preferred name
- Carbamic acid, (((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methyl-, 3-(1-methylethyl)phenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-[[(4-chloro-2-methylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Names & synonyms
104946-78-3Carbamic acid, (((((4-chloro-2-methylphenyl)imino)methyl)methylamino)thio)methyl-, 3-(1-methylethyl)phenyl esterDTXSID001384730
Database identifiers
- CAS
104946-78-3- PubChem CID
- 59901
- DTXSID
DTXSID001384730
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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