N-Methylthiomorpholine
Basic information
- CAS
55675-72-4- Standard SMILES
CN1CCSCC1- InChIKey
KDTVWEHAAISPNW-UHFFFAOYSA-N- Molecular formula
- C5H11NS
- Average molar mass
- 117.22 g/mol
- Monoisotopic mass
- 117.06122053
Names & identifiers
- Preferred name
- N-Methylthiomorpholine
- IUPAC
- 4-methylthiomorpholine
- English name
- 4-Methylthiomorpholine
- Molecular formula
- C5H11NS
- Molecular weight
- 117.21
Names & synonyms
N-Methylthiomorpholine55675-72-4DTXSID30335170RefChem:364658DTXCID30286259KDTVWEHAAISPNW-UHFFFAOYSA-N4-methylthiomorpholineThiomorpholine, 4-methyl-methylthiomorpholineSCHEMBL124804SCHEMBL221153SCHEMBL5179530
Show more names
SCHEMBL6292829SCHEMBL7388824MFCD27935477BS-34536
Database identifiers
- CAS
55675-72-4- PubChem CID
- 523249
- DTXSID
DTXSID30335170- Nikkaji
- J389.599H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Physicochemical properties
- Boiling point
- 164 · 164-165 °C(Press: 751 Torr)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- pka
- 7.85 · 7.85±0.20(Predicted)
- Comptox DTXSID
- 30335170 · DTXSID30335170
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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