4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
Basic information
- CAS
501104-17-2- Standard SMILES
O=C(Oc1nsnc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
LNCIABAARRBESH-UHFFFAOYSA-N- Molecular formula
- C13H12N4O5S
- Average molar mass
- 336.33 g/mol
- Monoisotopic mass
- 336.05284067
Names & identifiers
- Preferred name
- 4-Morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
- IUPAC
- (4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoate
Names & synonyms
501104-17-24-morpholino-1,2,5-thiadiazol-3-yl 4-nitrobenzoate1,2,5-Thiadiazol-3-ol, 4-(4-morpholinyl)-, 3-(4-nitrobenzoate)4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl 4-nitrobenzoate(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) 4-nitrobenzoateDTXSID601178000AKOS001678813ST50753469SR-01000085539SR-01000085539-1F1318-0115Z274554744
Show more names
4-morpholin-4-yl-1,2,5-thiadiazol-3-yl 4-nitrobenzoate
Database identifiers
- CAS
501104-17-2- PubChem CID
- 4608940
- DTXSID
DTXSID601178000
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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