Basic information
- CAS
30894-83-8- Standard SMILES
CCSc1nc(Cl)nc(SCC)n1- InChIKey
JOYKUBUBHHVKIX-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3S2
- Average molar mass
- 235.8 g/mol
- Monoisotopic mass
- 235.0004674
Names & identifiers
- Preferred name
- 2-Chloro-4,6-bis(ethylsulfanyl)-1,3,5-triazine
- IUPAC
- 2-chloro-4,6-bis(ethylsulfanyl)-1,3,5-triazine
Names & synonyms
2-chloro-4,6-bis(ethylsulfanyl)-1,3,5-triazineDTXSID1027536330894-83-8RefChem:258644DTXCID10226810SCHEMBL17563557
Database identifiers
- CAS
30894-83-8- PubChem CID
- 35657
- DTXSID
DTXSID10275363- Nikkaji
- J1.615.846A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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