Basic information
- CAS
5840-77-7- Standard SMILES
CSCCC1NC(=O)OC1=O- InChIKey
HIHFRAZOZMTUMG-UHFFFAOYSA-N- Molecular formula
- C6H9NO3S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.03031432
Names & identifiers
- Preferred name
- 4-[2-(Methylthio)ethyl]oxazolidine-2,5-dione
- IUPAC
- 4-(2-methylsulfanylethyl)-1,3-oxazolidine-2,5-dione
- English name
- 4-[2-(methylthio)ethyl]oxazolidine-2,5-dione
- Molecular formula
- C6H9NO3S
- Molecular weight
- 175.21
Names & synonyms
5840-77-74-[2-(Methylthio)ethyl]oxazolidine-2,5-dione4-(2-(Methylthio)ethyl)oxazolidine-2,5-dione4-(2-methylsulfanylethyl)-1,3-oxazolidine-2,5-dioneEINECS 227-430-3MFCD085332844-[2-(METHYLSULFANYL)ETHYL]-1,3-OXAZOLIDINE-2,5-DIONESCHEMBL12198546DTXSID90973956HIHFRAZOZMTUMG-UHFFFAOYSA-NAC6403AKOS024387417
Show more names
2,5-Oxazolidinedione, 4-[2-(methylthio)ethyl]-
SY225167DB-295036NS00046380ST510401924-(2-methylsulfanylethyl)oxazolidine-2,5-dione4-[2-(Methylthio)ethyl ]oxazolidine-2,5-dione(4S)-4-(2-methylthioethyl)-1,3-oxazolidine-2,5-dione2-Hydroxy-4-[2-(methylsulfanyl)ethyl]-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
5840-77-7- PubChem CID
- 110720
- DTXSID
DTXSID90973956- EC Number
- 227-430-3
- Nikkaji
- J218.094D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 44 · 44-46 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.40(Predicted)
Chemistry & industry
Suppliers3 total
韶远科技(上海)有限公司4000665055 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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