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2-Amino-5-(p-tolyl)thiazole - 98%, high purity , CAS No.73040-54-7
Basic Description
Synonyms
5-(P-tolyl)thiazol-2-amine | 73040-54-7 | 2-AMINO-5-(P-TOLYL)THIAZOLE | 5-(4-methylphenyl)-1,3-thiazol-2-amine | 5-p-tolylthiazol-2-amine | Oprea1_085255 | SCHEMBL3500308 | DTXSID70359370 | BHSKUJCHFMAMKF-UHFFFAOYSA-N | YCA04054 | MFCD00858269 | STL196758 | AKOS002341963 | BS-2437
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,5-disubstituted thiazoles
Alternative Parents
Toluenes 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
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
5-(4-methylphenyl)-1,3-thiazol-2-amine
INCHI
InChI=1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
InChIKey
BHSKUJCHFMAMKF-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)C2=CN=C(S2)N
Isomeric SMILES
CC1=CC=C(C=C1)C2=CN=C(S2)N
Molecular Weight
190.3
Reaxy-Rn
975453
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=975453&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
190.270 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
190.056 Da
Monoisotopic Mass
190.056 Da
Topological Polar Surface Area
67.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
166.000
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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