Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organic oxides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organic oxides
Alternative Parents	Hydrocarbon derivatives Saturated hydrocarbons
Molecular Framework	Not available
Substituents	Organic oxide - Hydrocarbon derivative - Saturated hydrocarbon - Hydrocarbon - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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1 results found

Lot Number	Certificate Type	Date	Item
D1718079	Certificate of Analysis	Mar 09, 2026	C114786

Chemical and Physical Properties

Flash Point(°C)	>100°C
Molecular Weight	386.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	387.171 Da
Monoisotopic Mass	387.171 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	207.000
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

References

1. Zhang Chao, Zhao Fengnian, He Yahui, She Yongxin, Hong Sihui, Ma Jun, Wang Miao, Cao Zhen, Li Tengfei, EI-Aty A. M. Abd, Ping Jianfeng, Ying Yibin, Wang Jing. (2019) A disposable electrochemical sensor based on electrospinning of molecularly imprinted nanohybrid films for highly sensitive determination of the organotin acaricide cyhexatin. MICROCHIMICA ACTA, 186 (8): (1-10). [PMID:31270627] [10.1007/s00604-019-3631-2]
2. Chao Zhang, Fengnian Zhao, Yongxin She, Sihui Hong, Xiaolin Cao, Lufei Zheng, Shanshan Wang, Tengfei Li, Mengqiang Wang, Maojun Jin, Fen Jin, Hua Shao, Jing Wang. (2018) A disposable molecularly imprinted sensor based on Graphe@AuNPs modified screen-printed electrode for highly selective and sensitive detection of cyhexatin in pear samples. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2018.12.075]

Solution Calculators

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Reviews

Canonical Smiles	C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O
InChIKey	UGCNRZFAUBJVPT-UHFFFAOYSA-N
INCHI	1S/3C6H11.H2O.Sn/c31-2-4-6-5-3-1;;/h31H,2-6H2;1H2;
Isomeric SMILES	C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O
PubChem CID	6327054
UN Number	2811
Packing Group	I
Molecular Weight	385.17
Beilstein	6099492

Cyhexatin - analytical standard , CAS No.13121-70-5

Specifications