Basic information
- CAS
17624-79-2- Standard SMILES
Cc1cc(C)nc(SSc2nc(C)cc(C)n2)n1- InChIKey
LCTFBIYMAQKHDI-UHFFFAOYSA-N- Molecular formula
- C12H14N4S2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.06598881
Names & identifiers
- Preferred name
- 2-[(4,6-Dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
- IUPAC
- 2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidine
Names & synonyms
17624-79-2Pyrimidine, 2,2'-dithiobis[4,6-dimethyl-MLS0011835582,2'-disulfanediylbis(4,6-dimethylpyrimidine)SMR0005020092-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethylpyrimidineHMS2817L071,2-Bis(4,6-dimethylpyrimidin-2-yl)disulfanecid_736679SCHEMBL7074739CHEMBL1548507BDBM60854
Show more names
DTXSID20353085STK089091AKOS0032124952-[(4,6-dimethyl-2-pyrimidinyl)disulfanyl]-4,6-dimethylpyrimidine2-[(4,6-dimethylpyrimidin-2-yl)disulfanyl]-4,6-dimethyl-pyrimidine
Database identifiers
- CAS
17624-79-2- PubChem CID
- 736679
- DTXSID
DTXSID20353085- ChEMBL
CHEMBL1548507- Nikkaji
- J680.206K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Solubility40.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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