Basic information
- CAS
57381-68-7- Standard SMILES
S=C(c1c(Cl)cccc1Cl)N1CN(Cc2ccc(Cl)cc2)CN(Cc2ccc(Cl)cc2)C1- InChIKey
NYTKBCOCMYQIJP-UHFFFAOYSA-N- Molecular formula
- C24H21Cl4N3S
- Average molar mass
- 525.3 g/mol
- Monoisotopic mass
- 523.02103
Names & identifiers
- Preferred name
- [3,5-Bis[(4-chlorophenyl)methyl]-1,3,5-triazinan-1-yl]-(2,6-dichlorophenyl)methanethione
- IUPAC
- [3,5-bis[(4-chlorophenyl)methyl]-1,3,5-triazinan-1-yl]-(2,6-dichlorophenyl)methanethione
Names & synonyms
57381-68-7NSC298249[3,5-bis[(4-chlorophenyl)methyl]-1,3,5-triazinan-1-yl]-(2,6-dichlorophenyl)methanethioneDTXSID10315930NSC-298249{3,5-Bis[(4-chlorophenyl)methyl]-1,3,5-triazinan-1-yl}(2,6-dichlorophenyl)methanethione
Database identifiers
- CAS
57381-68-7- PubChem CID
- 326583
- DTXSID
DTXSID10315930
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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