Basic information
- CAS
156574-58-2- Standard SMILES
CC1(N)CCSC1=O- InChIKey
SHPOQDAVWJDBGS-UHFFFAOYSA-N- Molecular formula
- C5H9NOS
- Average molar mass
- 131.2 g/mol
- Monoisotopic mass
- 131.04048508
Names & identifiers
- Preferred name
- Alpha-methylhomocysteine thiolactone
- IUPAC
- 3-amino-3-methylthiolan-2-one
- English name
- alpha-methylhomocysteine thiolactone
- Molecular formula
- C5H9NOS
- Molecular weight
- 131.2
Names & synonyms
156574-58-2alpha-Methylhomocysteine thiolactoneRefChem:1113253-amino-3-methylthiolan-2-oneGL 2GL-23-Aminodihydro-3-methyl-2(3H)-thiophenoneSCHEMBL29353778DTXSID30935477AKOS0063654222(3H)-Thiophenone, 3-aminodihydro-3-methyl-
Database identifiers
- CAS
156574-58-2- PubChem CID
- 133014
- DTXSID
DTXSID30935477
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 241.3 · 241.3±33.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- pka
- 7.73 · 7.73±0.20(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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