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1-(4-Bromo-2-fluorophenyl)thiourea - 97%, high purity , CAS No.930396-07-9
Discover 1-(4-Bromo-2-fluorophenyl)thiourea by Aladdin Scientific in 97% for only $2,219.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-(4-Bromo-2-fluorophenyl)thiourea | 930396-07-9 | (4-bromo-2-fluorophenyl)thiourea | N-(4-bromo-2-fluorophenyl)thiourea | DTXSID10585555 | MFCD09702294 | AKOS009140749 | BS-22626 | CS-0211044 | EN300-87378
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Thiourea - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(4-bromo-2-fluorophenyl)thiourea
INCHI
InChI=1S/C7H6BrFN2S/c8-4-1-2-6(5(9)3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
GOWRWGYTXLKMHG-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1Br)F)NC(=S)N
Isomeric SMILES
C1=CC(=C(C=C1Br)F)NC(=S)N
PubChem CID
16228931
Molecular Weight
249.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
249.110 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
247.942 Da
Monoisotopic Mass
247.942 Da
Topological Polar Surface Area
70.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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