Basic information
- CAS
51859-53-1- Standard SMILES
CC(=O)C1(C)NCCS1- InChIKey
WLXIBDDBHZVOIL-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Names & identifiers
- Preferred name
- Ethanone, 1-(2-methyl-2-thiazolidinyl)-
- IUPAC
- 1-(2-methyl-1,3-thiazolidin-2-yl)ethanone
- English name
- Ethanone, 1-(2-methyl-2-thiazolidinyl)- (9CI)
- Molecular formula
- C6H11NOS
- Molecular weight
- 145.22
Names & synonyms
51859-53-1ETHANONE, 1-(2-METHYL-2-THIAZOLIDINYL)-RefChem:10845202-acetyl-2-methylthiazolidineBRN 12099961-(2-Methyl-2-thiazolidinyl)ethanone1-(2-methyl-1,3-thiazolidin-2-yl)ethan-1-oneSCHEMBL11753702DTXSID10966183WLXIBDDBHZVOIL-UHFFFAOYSA-NAKOS006276236DB-326282
Show more names
Ethanone, 1-(2-methyl-2-thiazolidinyl)- (9CI)
Database identifiers
- CAS
51859-53-1- PubChem CID
- 40150
- DTXSID
DTXSID10966183- Nikkaji
- J931.602G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 248.2 · 248.2±35.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 6.96 · 6.96±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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