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Thiocyclam-hydrogen oxalate solution - analytical standard,10ug/ml in methanol, high purity , CAS No.31895-22-4
Basic Description
Synonyms
Thiocyclam hydrogen oxalate | Thiocyclam oxalate | 31895-22-4 | Evisekt | Thiocyclam hydrogenoxalate | Thiocyclam oxalate [ISO] | N,N-dimethyltrithian-5-amine;oxalic acid | G3LOM1T4X9 | DTXSID0047036 | N,N-Dimethyl-1,2,3-trithian-5-amine oxalate | 5-Dimethylamino-1,2,3-trith
Specifications & Purity
analytical standard, 10ug/ml in methanol
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Trithianes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Trithianes
Alternative Parents
Dicarboxylic acids and derivatives Organic trisulfides Trialkylamines Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Dicarboxylic acid or derivatives - Trithiane - Organic trisulfide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trithianes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and three carbon 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N,N-dimethyltrithian-5-amine;oxalic acid
INCHI
InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
ICTQUFQQEYSGGJ-UHFFFAOYSA-N
Smiles
CN(C)C1CSSSC1.C(=O)(C(=O)O)O
Isomeric SMILES
CN(C)C1CSSSC1.C(=O)(C(=O)O)O
PubChem CID
35969
Molecular Weight
271.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
125-128°C
Molecular Weight
271.400 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
271.001 Da
Monoisotopic Mass
271.001 Da
Topological Polar Surface Area
154.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
152.000
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
2
Citations of This Product
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7 Citations
F1321036