Basic information
- CAS
15686-72-3- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1- InChIKey
ZLWLKVQCHZSSEL-UHFFFAOYSA-N- Molecular formula
- C11H6Br3NOS
- Average molar mass
- 439.95 g/mol
- Monoisotopic mass
- 436.77202
Overview
Tibrofan is a small molecule drug. Tibrofan has a monoisotopic molecular weight of 436.77 Da.
Names & identifiers
- Preferred name
- Tibrofan
- IUPAC
- 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide
- English name
- Tibrofan
- Molecular formula
- C11H6Br3NOS
- Molecular weight
- 439.95
Names & synonyms
TIBROFAN15686-72-34,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamideDTXSID90461562K1U70U1M5NCGC00160448-01Tibrofan (USAN/INN)Tibrofan [USAN:INN]UNII-2K1U70U1M5TIBROFAN [USAN]TIBROFAN [INN]orb2815199
Show more names
4,5-Dibromo-N-(4-bromophenyl)-2-thiophenecarboxamide
SCHEMBL21101242-Thiophenecarboxamide, 4,5-dibromo-N-(4-bromophenyl)-CHEMBL1315136DTXCID7026156Tox21_111818AKOS001354723NCGC00160448-024,4',5-Tribromo-2-thiophenecarboxyanilide
Database identifiers
- CAS
15686-72-3- PubChem CID
- 27448
- DTXSID
DTXSID9046156- ChEMBL
CHEMBL1315136- UNII
- 2K1U70U1M5
- Nikkaji
- J8.994J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- FDA UNII
- 2 K1U70U1M5 · 2K1U70U1M5
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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