2-(1,1-Dioxidothiomorpholino)acetohydrazide
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Basic information
- CAS
39093-81-7- Standard SMILES
NNC(=O)CN1CCS(=O)(=O)CC1- InChIKey
ONWZKWJYAICTRG-UHFFFAOYSA-N- Molecular formula
- C6H13N3O3S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.06776246
Names & identifiers
- Preferred name
- 2-(1,1-Dioxidothiomorpholino)acetohydrazide
- IUPAC
- 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetohydrazide
- English name
- 2-(1,1-Dioxo-1lambda6,4-thiazinan-4-yl)acetohydrazide
- Molecular formula
- C6H13N3O3S
- Molecular weight
- 207.25
Names & synonyms
39093-81-72-(1,1-Dioxidothiomorpholino)acetohydrazide2-(1,1-dioxo-1,4-thiazinan-4-yl)acetohydrazide2-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)-acetohydrazideMFCD025716882-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl) acetohydrazide2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetohydrazideDTXSID80363009SBB093882AKOS005070015CS-03642342-(1,1-Dioxo-4-thiazinan-4-yl)acetohydrazide
Show more names
4-Thiomorpholineacetic acid, hydrazide, 1,1-dioxide(1,1-dioxo-1λ6-thiomorpholin-4-yl)-acetic acid hydrazide
2R-06714-(???methyl)-1,4-thiazaperhydroine-1,1-dione2-(1,1-Dioxo-1lambda~6~-thiomorpholin-4-yl)acetohydrazide2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)acetohydrazide
Database identifiers
- CAS
39093-81-7- PubChem CID
- 1472379
- DTXSID
DTXSID80363009
Properties
Computed structural propertiesFilling in
- XLogP
- -2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 194 · 194-195°
- Boiling point
- 531.3 · 531.3±45.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.37(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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