Basic information
- CAS
348138-16-9- Standard SMILES
CCS(=O)(=O)CCSc1nc(C)cc(C)n1- InChIKey
ZSVPXPWZPHBIPC-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2S2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.0653201
Names & identifiers
- Preferred name
- 2-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidine
- IUPAC
- 2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyrimidine
Names & synonyms
2-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidineSMR000012301ChemDiv3_003166MLS000073533CHEMBL1888787DTXSID501193704HMS1481P20HMS2187A04AKOS000670092348138-16-9EU-0011072SR-01000489313
Show more names
SR-01000489313-1BRD-K73778350-001-01-22-{[2-(Ethanesulfonyl)ethyl]sulfanyl}-4,6-dimethylpyrimidinePyrimidine, 2-[[2-(ethylsulfonyl)ethyl]thio]-4,6-dimethyl-
Database identifiers
- CAS
348138-16-9- PubChem CID
- 656348
- DTXSID
DTXSID501193704- ChEMBL
CHEMBL1888787
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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