Basic information
- CAS
93408-19-6- Standard SMILES
COc1cc(OC)c(NC(=S)Nc2cc(Cl)c(OC)cc2OC)cc1Cl- InChIKey
JQNLYERIYBJMHI-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O4S
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.0364336
Names & identifiers
- Preferred name
- 1,3-Bis(5-chloro-2,4-dimethoxyphenyl)thiourea
- IUPAC
- 1,3-bis(5-chloro-2,4-dimethoxyphenyl)thiourea
Names & synonyms
93408-19-61,3-bis(5-chloro-2,4-dimethoxyphenyl)thioureaNSC241649DTXSID60395121NSC-241649N,N'-Bis(5-chloro-2,4-dimethoxyphenyl)thiourea
Database identifiers
- CAS
93408-19-6- PubChem CID
- 3692082
- DTXSID
DTXSID60395121
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…