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2-(2-Pyrrolidinyl)-1,3-benzothiazole, HCl - 95%, high purity , CAS No.1027643-30-6
Discover 2-(2-Pyrrolidinyl)-1,3-benzothiazole, HCl by Aladdin Scientific in 95% for only $1,223.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1027643-30-6 | 2-(Pyrrolidin-2-yl)benzo[d]thiazole hydrochloride | 2-pyrrolidin-2-yl-1,3-benzothiazole hydrochloride | 2-(2-Pyrrolidinyl)-1,3-benzothiazole hydrochloride | 2-pyrrolidin-2-yl-1,3-benzothiazole;hydrochloride | MFCD04966888 | 2-(2-PYRROLIDINYL)-1,3-BENZO
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Aralkylamines Benzenoids Thiazoles Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aralkylamine - Benzenoid - Azole - Pyrrolidine - Heteroaromatic compound - Thiazole - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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
2-pyrrolidin-2-yl-1,3-benzothiazole;hydrochloride
INCHI
InChI=1S/C11H12N2S.ClH/c1-2-6-10-8(4-1)13-11(14-10)9-5-3-7-12-9;/h1-2,4,6,9,12H,3,5,7H2;1H
InChIKey
QGZFWPSLMFCWIL-UHFFFAOYSA-N
Smiles
C1CC(NC1)C2=NC3=CC=CC=C3S2.Cl
Isomeric SMILES
C1CC(NC1)C2=NC3=CC=CC=C3S2.Cl
PubChem CID
16424449
Molecular Weight
240.8
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
240.750 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
240.049 Da
Monoisotopic Mass
240.049 Da
Topological Polar Surface Area
53.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
209.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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