Basic information
- CAS
62128-06-7- Standard SMILES
O=[N+]([O-])c1ccc(C=Nc2ccc(I)cc2)s1- InChIKey
CTDFKSYSRIHXOD-UHFFFAOYSA-N- Molecular formula
- C11H7IN2O2S
- Average molar mass
- 358.16 g/mol
- Monoisotopic mass
- 357.9273
Names & identifiers
- Preferred name
- 4-iodo-N-[(5-nitro-2-thienyl)methylene]aniline
- IUPAC
- N-(4-iodophenyl)-1-(5-nitrothiophen-2-yl)methanimine
- English name
- 4-iodo-N-[(5-nitro-2-thienyl)methylene]aniline
- Molecular formula
- C11H7IN2O2S
- Molecular weight
- 358.15
Names & synonyms
62128-06-74-iodo-N-[(5-nitro-2-thienyl)methylene]anilineBenzenamine, 4-iodo-N-[(5-nitro-2-thienyl)methylene]-AG-690/12765718N-(4-iodophenyl)-1-(5-nitrothiophen-2-yl)methanimineSCHEMBL12218135DTXSID60359763(E)-N-(4-iodophenyl)-1-(5-nitrothiophen-2-yl)methanimineSTK025622AKOS000483192ST0356484-iodo-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
Show more names
(4-iodophenyl)[(5-nitro-2-thienyl)methylene]amine
5-[(1E)-2-(4-iodophenyl)-2-azavinyl]-2-nitrothiophene
Database identifiers
- CAS
62128-06-7- PubChem CID
- 997993
- DTXSID
DTXSID60359763
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Chemistry & industry
Suppliers2 total
ARONIS[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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