4-(Mercaptomethyl)oxazolidine-2,5-dione
Basic information
- CAS
6050-68-6- Standard SMILES
O=C1NC(CS)C(=O)O1- InChIKey
USAOVMCIRGPAQF-UHFFFAOYSA-N- Molecular formula
- C4H5NO3S
- Average molar mass
- 147.15 g/mol
- Monoisotopic mass
- 146.9990142
Names & identifiers
- Preferred name
- 4-(Mercaptomethyl)oxazolidine-2,5-dione
- IUPAC
- 4-(sulfanylmethyl)-1,3-oxazolidine-2,5-dione
- English name
- 4-(mercaptomethyl)oxazolidine-2,5-dione
- Molecular formula
- C4H5NO3S
- Molecular weight
- 147.15
Names & synonyms
6050-68-6EINECS 227-952-14-(Mercaptomethyl)oxazolidine-2,5-dioneDTXSID80975909USAOVMCIRGPAQF-UHFFFAOYSA-NNS000454442-Hydroxy-4-(sulfanylmethyl)-1,3-oxazol-5(4H)-one4-(Mercaptomethyl)-2,5-oxazolidinedione2,5-Oxazolidinedione, 4-(mercaptomethyl)-4-(sulfanylmethyl)-1,3-oxazolidine-2,5-dione
Database identifiers
- CAS
6050-68-6- PubChem CID
- 110756
- DTXSID
DTXSID80975909- EC Number
- 227-952-1
- Nikkaji
- J227.259H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.40(Predicted)
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Compound notes
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