4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
Basic information
- CAS
63868-54-2- Standard SMILES
OCCSC(=S)N1CCOCC1- InChIKey
YVCGTSJEHOFNPF-UHFFFAOYSA-N- Molecular formula
- C7H13NO2S2
- Average molar mass
- 207.3 g/mol
- Monoisotopic mass
- 207.038771
Names & identifiers
- Preferred name
- 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
- IUPAC
- 2-hydroxyethyl morpholine-4-carbodithioate
- English name
- 4-Morpholinecarbodithioic acid, 2-hydroxyethyl ester
- Molecular formula
- C7H13NO2S2
- Molecular weight
- 207.31
Names & synonyms
63868-54-24-Morpholinecarbodithioic acid, 2-hydroxyethyl ester2-Hydroxyethyl 4-morpholinecarbodithioateBRN 0138650DTXSID302133284-27-00-00308 (Beilstein Handbook Reference)NSC 81383RefChem:294826DTXCID301358192-hydroxyethyl morpholine-4-carbodithioateSCHEMBL11759245NSC81383
Show more names
NSC-81383
Database identifiers
- CAS
63868-54-2- PubChem CID
- 96599
- DTXSID
DTXSID30213328- Nikkaji
- J70.137H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 347.6 · 347.6±52.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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