Basic information
- CAS
71565-71-4- Standard SMILES
Cc1cnoc1NS(N)(=O)=O- InChIKey
RHIWNWGREWHFGB-UHFFFAOYSA-N- Molecular formula
- C4H7N3O3S
- Average molar mass
- 177.18 g/mol
- Monoisotopic mass
- 177.02081227
Names & identifiers
- Preferred name
- N-(4-Methyl-1,2-oxazol-5-yl)sulfuric diamide
- IUPAC
- 4-methyl-5-(sulfamoylamino)-1,2-oxazole
- English name
- Sulfamide, (4-methyl-5-isoxazolyl)- (9CI)
- Molecular formula
- C4H7N3O3S
- Molecular weight
- 177.18
Names & synonyms
71565-71-4N-(4-Methyl-1,2-oxazol-5-yl)sulfuric diamideDTXSID30502542(4-methyl-isoxazol-5-yl)-sulfamideSulfamide, N-(4-methyl-5-isoxazolyl)-Sulfamide, (4-methyl-5-isoxazolyl)- (9CI)
Database identifiers
- CAS
71565-71-4- PubChem CID
- 12559271
- DTXSID
DTXSID30502542
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 109.5 · 109.5-110.5 °C
- Boiling point
- 379.4 · 379.4±44.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- pka
- 6.16 · 6.16±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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