5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine
Basic information
- CAS
4244-27-3- Standard SMILES
NC1=NN=C(c2ccc([N+](=O)[O-])cc2)CS1- InChIKey
KDAVBSGWGBLQKZ-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.03679668
Names & identifiers
- Preferred name
- 5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine
- IUPAC
- 5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine
Names & synonyms
5-(4-nitrophenyl)-6H-1,3,4-thiadiazin-2-amine4244-27-3DTXSID00359601RefChem:300101DTXCID80310654AKOS003664278ST45100532SR-01000268986SR-01000268986-15-(4-nitrophenyl)-6H-1,3,4-thiadiazine-2-ylamine
Database identifiers
- CAS
4244-27-3- PubChem CID
- 975066
- DTXSID
DTXSID00359601- Nikkaji
- J2.665.918C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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