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6-Aminopyridine-3-thioamide - 95%, high purity , CAS No.53268-33-0
Basic Description
Synonyms
MFCD09932294 | SB54472 | 6-Aminopyridine-3-thioamide, 95% | NSC306665 | NSC-306665 | SCHEMBL10725597 | DTXSID40398039 | EN300-70681 | A870780 | 2-aminopyridine-5-thiocarboxamide | AKOS000175714 | 2-amino Pyridyl-5-thioamide | PD021213 | 6-aminopyridine-3-
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Aminopyridines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminopyridines and derivatives
Alternative Parents
Imidolactams Thioamides Heteroaromatic compounds Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyridine - Imidolactam - Heteroaromatic compound - Thioamide - Azacycle - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine 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
6-aminopyridine-3-carbothioamide
INCHI
InChI=1S/C6H7N3S/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
InChIKey
LCKBJNNMWMUYAB-UHFFFAOYSA-N
Smiles
C1=CC(=NC=C1C(=S)N)N
Isomeric SMILES
C1=CC(=NC=C1C(=S)N)N
UN Number
2811
Molecular Weight
153.2
Reaxy-Rn
386640
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386640&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
177-182℃
Molecular Weight
153.210 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
153.036 Da
Monoisotopic Mass
153.036 Da
Topological Polar Surface Area
97.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
137.000
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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