Ethanethioamide, S-oxide
Basic information
- CAS
2669-09-2- Standard SMILES
CC(N)=S=O- InChIKey
DRLWOIKWASTVIQ-UHFFFAOYSA-N- Molecular formula
- C2H5NOS
- Average molar mass
- 91.13 g/mol
- Monoisotopic mass
- 91.00918496
Names & identifiers
- Preferred name
- Ethanethioamide, S-oxide
- IUPAC
- 1-sulfinylethanamine
- English name
- thioacetamide-S-oxide
- Molecular formula
- C2H5NOS
- Molecular weight
- 91.13
Names & synonyms
Thioacetamide-S-oxide2669-09-2DTXSID70181198RefChem:189402DTXCID80103689Acetamide, thio-, S-oxideEthanethioamide, S-oxide1-sulfinylethanamineThioacetamide S-oxideThioacetamid-S-oxidNSC371202NSC 371202
Show more names
THIOACETAMIDESULFOXIDEEthanethioamide, S-oxide (9CI)
BRN 1901536UNII-T7YWZ35RSKorb1943770SCHEMBL4013073SCHEMBL5999710AKOS006278707HY-156050CS-0891647
Database identifiers
- CAS
2669-09-2- PubChem CID
- 100800
- DTXSID
DTXSID70181198
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 73.7
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Boiling point
- 146.4 · 146.4±23.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- FDA UNII
- 7 YWZ35RSK · T7YWZ35RSK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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