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N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide - 98%, high purity , CAS No.690634-07-2
Discover N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide by Aladdin Scientific in 98% for only $46.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide | N-(1,3-Thiazol-2-yl)-1H-1,2,3-benzotriazole-1-carbothioamide | DTXSID80393144 | SCHEMBL22469019 | N-(2-THIAZOLYL)-1H-BENZOTRIAZOLE-1-CARB | N-(2-Thiazolyl)-1H-benzotriazole-1-carbothioamide, 97% | N-(1,
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product Application:
Used as:
Corrosion inhibitor during copper corrosion in acid solutions
Thioacylating agent in the preparation of thioureas
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzotriazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzotriazoles
Alternative Parents
Benzenoids Triazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzotriazole - Benzenoid - Heteroaromatic compound - 1,2,3-triazole - Triazole - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
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
N-(1,3-thiazol-2-yl)benzotriazole-1-carbothioamide
INCHI
InChI=1S/C10H7N5S2/c16-10(12-9-11-5-6-17-9)15-8-4-2-1-3-7(8)13-14-15/h1-6H,(H,11,12,16)
InChIKey
HQCYBFVKEAZBJE-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3
Isomeric SMILES
C1=CC=C2C(=C1)N=NN2C(=S)NC3=NC=CS3
WGK Germany
3
Molecular Weight
261.33
Reaxy-Rn
9766935
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9766935&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
261.300 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
261.014 Da
Monoisotopic Mass
261.014 Da
Topological Polar Surface Area
116.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
300.000
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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