4(5H)-Thiazolone, 2-amino-5-[(5-nitro-2-furanyl)methylene]-, (Z)-
Basic information
- CAS
52661-38-8- Standard SMILES
NC1=NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1- InChIKey
HFOPNBSWGQRWBY-HYXAFXHYSA-N- Molecular formula
- C8H5N3O4S
- Average molar mass
- 239.21 g/mol
- Monoisotopic mass
- 239.00007682
Names & identifiers
- Preferred name
- 4(5H)-Thiazolone, 2-amino-5-[(5-nitro-2-furanyl)methylene]-, (Z)-
- IUPAC
- (5Z)-2-amino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazol-4-one
Names & synonyms
(5Z)-2-Amino-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazol-4(5H)-one4(5H)-Thiazolone, 2-amino-5-[(5-nitro-2-furanyl)methylene]-, (Z)-
Database identifiers
- CAS
52661-38-8- PubChem CID
- 6185950
- DTXSID
DTXSID80879291- Nikkaji
- J1.570.505A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…