Basic information
- CAS
42460-12-8- Standard SMILES
CSc1nc(Nc2ccc3ccccc3c2)nc(SC)n1- InChIKey
LEMXSOLWJDCGDY-UHFFFAOYSA-N- Molecular formula
- C15H14N4S2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.06598881
Names & identifiers
- Preferred name
- 4,6-Bis(methylsulfanyl)-N-(naphthalen-2-yl)-1,3,5-triazin-2-amine
- IUPAC
- 4,6-bis(methylsulfanyl)-N-naphthalen-2-yl-1,3,5-triazin-2-amine
Names & synonyms
42460-12-8SCHEMBL11802594DTXSID207085164,6-Bis(methylsulfanyl)-N-(naphthalen-2-yl)-1,3,5-triazin-2-amine
Database identifiers
- CAS
42460-12-8- PubChem CID
- 54029418
- DTXSID
DTXSID20708516
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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