Formamide, N-(4-(5-nitro-2-thienyl)-2-thiazolyl)-
Basic information
- CAS
58139-46-1- Standard SMILES
O=CNc1nc(-c2ccc([N+](=O)[O-])s2)cs1- InChIKey
VBZZWXOIPRPHKJ-UHFFFAOYSA-N- Molecular formula
- C8H5N3O3S2
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 254.97723338
Names & identifiers
- Preferred name
- Formamide, N-(4-(5-nitro-2-thienyl)-2-thiazolyl)-
- IUPAC
- N-[4-(5-nitrothiophen-2-yl)-1,3-thiazol-2-yl]formamide
- English name
- N-[4-(5-Nitro-2-thienyl)-2-thiazolyl]formamide
- Molecular formula
- C8H5N3O3S2
- Molecular weight
- 255.27
Names & synonyms
58139-46-12-Formylamino-4-(5-nitro-2-thienyl)thiazoleFORMAMIDE, N-(4-(5-NITRO-2-THIENYL)-2-THIAZOLYL)-N-(4-(5-Nitro-2-thienyl)-2-thiazolyl)formamideN-[4-(5-Nitro-2-thienyl)-2-thiazolyl]formamideFormamide, N-[4-(5-nitro-2-thienyl)-2-thiazolyl]-N-[4-(5-nitrothiophen-2-yl)-1,3-thiazol-2-yl]formamideCKF6WA8SL8DTXSID70206870DB-320759N-[4-(5-nitro-2-thienyl)-2-thiazolyl ]formamideN-(4-(5-NITRO-2-THIENYL)-2-THIAZOLYLFORMAMIDE
Show more names
NITRO-2-THIENYL)-2-THIAZOLYL)FORMAMIDE, N-(4-(5-
Database identifiers
- CAS
58139-46-1- PubChem CID
- 42647
- DTXSID
DTXSID70206870- UNII
- CKF6WA8SL8
- Nikkaji
- J61.567F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 467 · 467.0±55.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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