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7-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine - 97%, high purity , CAS No.1233094-95-5
Discover 7-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine by Aladdin Scientific in 97% for only $2,335.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1233094-95-5 | 7-BROMO-2-(METHYLTHIO)PYRROLO[2,1-F][1,2,4]TRIAZINE | 7-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine | 7-BROMO-2-(METHYLTHIO)PYRROLO[1,2-F][1,2,4]TRIAZINE | 7-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine | Pyrrolo[2,1-f][1,2,4]triazin
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolotriazines
Subclass
Pyrrolo[2,1-f][1,2,4]triazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,1-f][1,2,4]triazines
Alternative Parents
Alkylarylthioethers Substituted pyrroles Aryl bromides 1,2,4-triazines Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-f][1,2,4]triazine - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Substituted pyrrole - Triazine - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Thioether - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole ring.
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
7-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
INCHI
InChI=1S/C7H6BrN3S/c1-12-7-9-4-5-2-3-6(8)11(5)10-7/h2-4H,1H3
InChIKey
DHXIYHKKUAXQFV-UHFFFAOYSA-N
Smiles
CSC1=NN2C(=CC=C2Br)C=N1
Isomeric SMILES
CSC1=NN2C(=CC=C2Br)C=N1
Molecular Weight
244.11
Reaxy-Rn
20501688
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20501688&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
244.110 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
242.947 Da
Monoisotopic Mass
242.947 Da
Topological Polar Surface Area
55.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
169.000
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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