Basic information
- CAS
16795-64-5- Standard SMILES
CN(C)C(=S)OCC1OC2OC(C)(C)OC2C2OC(C)(C)OC12- InChIKey
WNSWLHRFBBLOQO-YBXAARCKSA-N- Molecular formula
- C15H25NO6S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.14025869
Names & identifiers
- Preferred name
- Dimethylthiocarbamoyl isopropylidene galactopyranose
- IUPAC
- O-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] N,N-dimethylcarbamothioate
- English name
- 1-O,2-O:3-O,4-O-Bis(1-methylethylidene)-α-D-galactopyranose dimethylcarbamothioate
- Molecular formula
- C15H25NO6S
- Molecular weight
- 347.43
Names & synonyms
16795-64-5NSC98786Dimethylthiocarbamoyl isopropylidene galactopyranoseNSC-987861-O,2-O:3-O,4-O-Bis(1-methylethylidene)-alpha-D-galactopyranose dimethylcarbamothioateO-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl] N,N-dimethylcarbamothioate.alpha.-D-Galactopyranose,2:3,4-bis-O-(1-methylethylidene)-, dimethylcarbamothioateGalactopyranose,2:3,4-di-O-isopropylidene-, dimethylthiocarbamate, .alpha.-D-1-O,2-O:3-O,4-O-Bis(1-methylethylidene)-α-D-galactopyranose dimethylcarbamothioateα-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-, dimethylcarbamothioate (9CI)
Database identifiers
- CAS
16795-64-5- PubChem CID
- 264010
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Boiling point
- 396.1 · 396.1±52.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…