3,3-dimethyl-4-{[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]methyl}-1λ⁶-thiomorpholine-1,1-dione
Structure Info
- Chemspace ID
- CSSS00161127169 (In-Stock Screening Compounds)
- CAS
- 2419437-88-8
- IUPAC Name
- 3,3-dimethyl-4-{[3-(propan-2-yl)-1,2,4-thiadiazol-5-yl]methyl}-1λ⁶-thiomorpholine-1,1-dione
- Mol formula
- C12H21N3O2S2
- Mol weight
- 303 Da
- Catalog Number(s)
- CSC161127169, CSCR00040350674, Z2948848651, m_2230_8988550_12420534, m_2230____8988550____12420534
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.25
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.833
- Polar surface area (Å)
- 63
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00161127169
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