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N1，N2-Didodecylethanebis(thioamide) - ≥97%, high purity , CAS No.120-88-7

COA

Grade & Purity:

≥97%

Cas Number: 120-88-7
EC Number: 204-433-8
PubChem CID: 3032290

In stock

Item Number

N708443

Grouped product items
SKU	Size	Availability	Price	Qty
N708443-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
N708443-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$620.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioamides

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioamides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thioamides
Alternative Parents	Thiocarboxylic acid amides Thiocarbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
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

Names and Identifiers

IUPAC Name	N,N'-didodecylethanedithioamide
INCHI	InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKey	MQCQUDOKUAAVFO-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC
Alternate CAS	120-88-7
PubChem CID	3032290
NSC Number	44699

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	456.800 g/mol
XLogP3	11.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	22
Exact Mass	456.357 Da
Monoisotopic Mass	456.357 Da
Topological Polar Surface Area	88.200 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	349.000
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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