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Acetone Thiosemicarbazone - >97.0%(T), high purity , CAS No.1752-30-3

COA

Grade & Purity:

≥97%(T)

Cas Number: 1752-30-3
Molecular Weight: 131.2
MDL number: MFCD00022153
PubChem CID: 2770166
PubChem SID: 488193426

In stock

Item Number

A151291

Grouped product items
SKU	Size	Availability	Price
A151291-25g	25g	2	$31.90
A151291-100g	100g	5	$112.90
A151291-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$507.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	Hydrazinecarbothioamide, 2-(1-methylethylidene)- \| Thiosemicarbazone acetone \| DTXCID4024480 \| 2-(propan-2-ylidene)hydrazinecarbothioamide \| Acetonthiosemikarbazon \| SCHEMBL19063125 \| Z57128338 \| AB01329842-02 \| PD179083 \| Acetone thiosemicarbazone \| AKOS
Specifications & Purity	≥97%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Hydrazines and derivatives
      - Level5 Thiosemicarbazides
        Level6 Thiosemicarbazones

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Hydrazines and derivatives
Intermediate Tree Nodes	Thiosemicarbazides
Direct Parent	Thiosemicarbazones
Alternative Parents	Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiosemicarbazone - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thiosemicarbazones. These are compounds containing the thiosemicarbazone functional group obtained by replacing the carbonyl group by a thiocarbonyl 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

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	488193426
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193426
IUPAC Name	(propan-2-ylideneamino)thiourea
INCHI	InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey	FQUDPIIGGVBZEQ-UHFFFAOYSA-N
Smiles	CC(=NNC(=S)N)C
Isomeric SMILES	CC(=NNC(=S)N)C
RTECS	AL7350000
UN Number	2811
Packing Group	I
Molecular Weight	131.2
Reaxy-Rn	970126
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970126&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
C2306937	Certificate of Analysis	Mar 09, 2023	A151291
E2015092	Certificate of Analysis	Mar 08, 2023	A151291

Chemical and Physical Properties

Solubility	Soluble in Acetone
Melt Point(°C)	175 °C
Molecular Weight	131.200 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.052 Da
Monoisotopic Mass	131.052 Da
Topological Polar Surface Area	82.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	114.000
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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