Basic information
- Standard SMILES
CCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1- InChIKey
PPAIMZHKIXDJRN-FMDGEEDCSA-N- Molecular formula
- C9H16N2O4S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.08307817
Names & identifiers
- Preferred name
- Thiamet G, >=98% (HPLC)
- IUPAC
- (3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Names & synonyms
HMS3648I18Thiamet G, >=98% (HPLC)EX-A2240AKOS024458135CCG-266939NCGC00344096-09AC-32945BS-14158HY-12588T6056SR-01000946377SR-01000946377-1
Database identifiers
- PubChem CID
- 24808478
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
4 records
Compound notes
Loading…