1-[(4S)-4-(Phenylmethyl)-2-thioxo-3-oxazolidinyl]-1-propanone
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Basic information
- CAS
145588-95-0- Standard SMILES
CCC(=O)N1C(=S)OC[C@@H]1Cc1ccccc1- InChIKey
RMIDPJIHKSUBCO-NSHDSACASA-N- Molecular formula
- C13H15NO2S
- Average molar mass
- 249.33 g/mol
- Monoisotopic mass
- 249.08234989
Names & identifiers
- Preferred name
- 1-[(4S)-4-(Phenylmethyl)-2-thioxo-3-oxazolidinyl]-1-propanone
- IUPAC
- 1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]propan-1-one
- English name
- (S)-4-Benzyl-3-propionyl-1,3-oxazolidine-2-thione
- Molecular formula
- C13H15NO2S
- Molecular weight
- 249.33
Names & synonyms
145588-95-01-[(4S)-4-(Phenylmethyl)-2-thioxo-3-oxazolidinyl]-1-propanone1-((4S)-4-(Phenylmethyl)-2-thioxo-3-oxazolidinyl)-1-propanoneRefChem:222153(S)-4-BENZYL-3-PROPIONYL-1,3-OXAZOLIDINE-2-THIONEMFCD080624911-[(4S)-4-BENZYL-2-SULFANYLIDENE-1,3-OXAZOLIDIN-3-YL]PROPAN-1-ONE(S)-1-(4-Benzyl-2-thioxooxazolidin-3-yl)propan-1-one1-Propanone, 1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]-DTXSID901182533AKOS015914455AS-71571
Show more names
(S)-4-Benzyl-3-Propionyl-1,3-Oxazolidine-2-Thione(WX619934)1-Propanone,1-[(4S)-4-(phenylmethyl)-2-thioxo-3-oxazolidinyl]-1-[(4S)-4-(Phenylmethyl)-2-thioxo-3-oxazolidinyl]-1-prop anone,99%e.e.
SY127092CS-0036564F468926(S)-1-(4-Benzyl-2-thioxooxazolidin-3-yl)-1-propanone1-[(4S)-4-benzyl-2-thioxo-oxazolidin-3-yl]propan-1-one
Database identifiers
- CAS
145588-95-0- PubChem CID
- 11032271
- DTXSID
DTXSID901182533- Nikkaji
- J886.647C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Off-white to light yellow Solid
- optical activity
- Consistent with structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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