Basic information
- CAS
30894-81-6- Standard SMILES
CCOc1nc(Cl)nc(SCC)n1- InChIKey
MMIFUILKAKRGMR-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3OS
- Average molar mass
- 219.69 g/mol
- Monoisotopic mass
- 219.0233108
Names & identifiers
- Preferred name
- 2-Chloro-4-ethoxy-6-ethylsulfanyl-1,3,5-triazine
- IUPAC
- 2-chloro-4-ethoxy-6-ethylsulfanyl-1,3,5-triazine
Names & synonyms
2-chloro-4-ethoxy-6-ethylsulfanyl-1,3,5-triazine30894-81-62-chloro-4-ethoxy-6-(ethylsulfanyl)-1,3,5-triazineDTXSID50275362AKOS012154584
Database identifiers
- CAS
30894-81-6- PubChem CID
- 35655
- DTXSID
DTXSID50275362- Nikkaji
- J1.615.834H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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