Basic information
- CAS
25713-57-9- Standard SMILES
Clc1nc(Cl)nc(SCc2ccccc2)n1- InChIKey
DMEZLIQUTNGCOB-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3S
- Average molar mass
- 272.15 g/mol
- Monoisotopic mass
- 270.9737738
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)-4,6-dichloro-1,3,5-triazine
- IUPAC
- 2-benzylsulfanyl-4,6-dichloro-1,3,5-triazine
Names & synonyms
25713-57-92-(benzylsulfanyl)-4,6-dichloro-1,3,5-triazineDTXSID90275023RefChem:253274DTXCID102264712-(Benzylthio)-4,6-dichloro-1,3,5-triazineSCHEMBL5888974AKOS009154377
Database identifiers
- CAS
25713-57-9- PubChem CID
- 33148
- DTXSID
DTXSID90275023- Nikkaji
- J1.611.898B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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