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(2-methylpropanoyl)thiourea - ≥95%, high purity , CAS No.6965-58-8

COA

Grade & Purity:

≥95%

Cas Number: 6965-58-8
Molecular Weight: 146.21
MDL number: MFCD01675987
PubChem CID: 3555130
PubChem SID: 488194447

In stock

Item Number

B300478

Grouped product items
SKU	Size	Availability	Price
B300478-50mg	50mg	5	$86.90
B300478-250mg	250mg	4	$275.90
B300478-1g	1g	1	$687.90

Basic Description

Synonyms	6965-58-8 \| N-Carbamothioylisobutyramide \| (2-Methylpropanoyl)thiourea \| N-carbamothioyl-2-methylpropanamide \| isobutyryl-thiourea \| N-isobutyrylthiourea \| NSC69209 \| NCIOpen2_000413 \| SCHEMBL1401028 \| DTXSID30393598 \| QDAGIMDDJUTAFV-UHFFFAOYSA-N \| NSC 69209 \| NSC-69209 \| AKOS0063
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioureas

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioureas
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thioureas
Alternative Parents	Carboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiourea - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thioureas. These are organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with 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

Names and Identifiers

Pubchem Sid	488194447
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488194447
IUPAC Name	N-carbamothioyl-2-methylpropanamide
INCHI	InChI=1S/C5H10N2OS/c1-3(2)4(8)7-5(6)9/h3H,1-2H3,(H3,6,7,8,9)
InChIKey	QDAGIMDDJUTAFV-UHFFFAOYSA-N
Smiles	CC(C)C(=O)NC(=S)N
Isomeric SMILES	CC(C)C(=O)NC(=S)N
Molecular Weight	146.21
Reaxy-Rn	1759041
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759041&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
A2303314	Certificate of Analysis	Dec 13, 2022	B300478
A2303313	Certificate of Analysis	Dec 13, 2022	B300478
L2203242	Certificate of Analysis	Dec 13, 2022	B300478
L2203241	Certificate of Analysis	Dec 13, 2022	B300478
L2203318	Certificate of Analysis	Dec 13, 2022	B300478
L2203319	Certificate of Analysis	Dec 13, 2022	B300478

Chemical and Physical Properties

Molecular Weight	146.210 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.051 Da
Monoisotopic Mass	146.051 Da
Topological Polar Surface Area	87.200 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	133.000
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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