3-Furancarboxamide, N-(((4-hydroxyphenyl)amino)thioxomethyl)-5-nitro-
Basic information
- CAS
117457-83-7- Standard SMILES
O=C(NC(=S)Nc1ccc(O)cc1)c1coc([N+](=O)[O-])c1- InChIKey
CQCPQMQDNUKNDJ-UHFFFAOYSA-N- Molecular formula
- C12H9N3O5S
- Average molar mass
- 307.28 g/mol
- Monoisotopic mass
- 307.02629157
Names & identifiers
- Preferred name
- 3-Furancarboxamide, N-(((4-hydroxyphenyl)amino)thioxomethyl)-5-nitro-
- IUPAC
- N-[(4-hydroxyphenyl)carbamothioyl]-5-nitrofuran-3-carboxamide
Names & synonyms
117457-83-73-Furancarboxamide, N-(((4-hydroxyphenyl)amino)thioxomethyl)-5-nitro-DTXSID00151788N-(5-Nitro-3-furoyl)-N'-(4-hydroxyphenyl)thioureaRefChem:279588DTXCID4074279N-[(4-hydroxyphenyl)carbamothioyl]-5-nitrofuran-3-carboxamideAKOS024328245
Database identifiers
- CAS
117457-83-7- PubChem CID
- 5487960
- DTXSID
DTXSID00151788- EC Number
- 682-918-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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