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5-Cyclohexylamino-[1,3,4]thiadiazole-2-thiol - ≥95%, high purity , CAS No.68161-70-6

COA

Grade & Purity:

≥95%

Cas Number: 68161-70-6
Molecular Weight: 215.34
PubChem CID: 708403
PubChem SID: 488191204

In stock

Item Number

C349405

Grouped product items
SKU	Size	Availability	Price
C349405-250mg	250mg	4	$132.90
C349405-1g	1g	2	$406.90
C349405-5g	5g	1	$1,829.90

Basic Description

Synonyms	5-(cyclohexylamino)-1,3,4-thiadiazole-2-thiol \| SMR001811275 \| HMS561L21 \| MFCD00126030 \| 5-cyclohexylamino-[1,3,4]thiadiazole-2-thiol \| BS-29380 \| 5-CYCLOHEXYLAMINO-1,3,4-THIADIAZOLE-2(3H)-THIONE \| MLS003106333 \| SR-01000643837-1 \| DTXSID60351747 \| PALMA
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Secondary amines
        Level6 Secondary alkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Secondary amines
Direct Parent	Secondary alkylarylamines
Alternative Parents	2-amino-1,3,4-thiadiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Secondary aliphatic/aromatic amine - 2-amino-1,3,4-thiadiazole - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488191204
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191204
IUPAC Name	5-(cyclohexylamino)-3H-1,3,4-thiadiazole-2-thione
INCHI	InChI=1S/C8H13N3S2/c12-8-11-10-7(13-8)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKey	JOPULZODGGQCOM-UHFFFAOYSA-N
Smiles	C1CCC(CC1)NC2=NNC(=S)S2
Isomeric SMILES	C1CCC(CC1)NC2=NNC(=S)S2
PubChem CID	708403
Molecular Weight	215.34

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2311608	Certificate of Analysis	Feb 27, 2023	C349405
D2311602	Certificate of Analysis	Feb 27, 2023	C349405
D2311562	Certificate of Analysis	Feb 27, 2023	C349405
D2311578	Certificate of Analysis	Feb 27, 2023	C349405
D2311553	Certificate of Analysis	Feb 27, 2023	C349405
D2311584	Certificate of Analysis	Feb 27, 2023	C349405

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	n20D1.77 (Predicted)
Boil Point(°C)	312.39° C at 760 mmHg (Predicted)
Melt Point(°C)	170.46° C (Predicted)
Molecular Weight	215.300 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.055 Da
Monoisotopic Mass	215.055 Da
Topological Polar Surface Area	93.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	234.000
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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