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1,3-Diethyl-2-thiourea - 97%, high purity , CAS No.105-55-5

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 105-55-5
Molecular Weight: 132.23
Beilstein Registry Number: 773905
MDL number: MFCD00004925
PubChem CID: 2735009
PubChem SID: 504761236

In stock

Item Number

D154883

Grouped product items
SKU	Size	Availability	Price
D154883-25g	25g	3	$13.90
D154883-100g	100g	3	$47.90
D154883-500g	500g	2	$60.90

View related series

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

Basic Description

Synonyms	BRN 0773905 \| EC 203-308-5 \| N,N'-Diethylthiourea, 98% \| Thiourea, N,N'-diethyl- \| DETU \| 1,3-Diethyl-2-thiourea \| Pennzone E \| Q26840940 \| U 15030 \| SCHEMBL11837352 \| FT-0629489 \| MFCD00004925 \| SMR001252205 \| Urea, 1,3-diethyl-2-thio- \| C19400 \| CAS-105
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Application N,N′-Diethylthiourea can be used as a reactant to prepare: 1、3,5-Diethyltetrahydro-4-thioxo-1,3,5-triazine-1(2H)-propanoic acid by condensation reaction with formaldehyde and β-alanine. 2、Methyl 3-ethyl-2-(ethylimino)-3,4-dihydro-4-oxo-2H-1,3-thiazine-6-carboxylate by one-pot reaction with dimethyl acetylenedicarboxylate in the presence of triphenylphosphine catalyst. 3、2-(Ethylimino)-3-ethyl-thiazolidin-4-one by cyclization reaction with 2-chloroacetic acid. 4、3-Ethyl-2-(ethylimino)-4-oxo-5-thiazolidineacetamide by condensation reaction with maleimides via Michael-type reaction.

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	Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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	thioureas
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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	504761236
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761236
IUPAC Name	1,3-diethylthiourea
INCHI	InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey	FLVIGYVXZHLUHP-UHFFFAOYSA-N
Smiles	CCNC(=S)NCC
Isomeric SMILES	CCNC(=S)NCC
WGK Germany	2
RTECS	YS9800000
Molecular Weight	132.23
Beilstein	773905
Reaxy-Rn	773905
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773905&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.

10 results found

Lot Number	Certificate Type	Date	Item
G2426552	Certificate of Analysis	Apr 30, 2024	D154883
G2426557	Certificate of Analysis	Apr 30, 2024	D154883
G2426558	Certificate of Analysis	Apr 30, 2024	D154883
J2213507	Certificate of Analysis	Jul 21, 2022	D154883
F2328155	Certificate of Analysis	Jul 21, 2022	D154883
F2328154	Certificate of Analysis	Jul 21, 2022	D154883
J2213530	Certificate of Analysis	Jul 21, 2022	D154883
J2213525	Certificate of Analysis	Jul 21, 2022	D154883
J2213513	Certificate of Analysis	Jul 21, 2022	D154883
D1825073	Certificate of Analysis	Feb 16, 2022	D154883

Chemical and Physical Properties

Melt Point(°C)	79 °C
Molecular Weight	132.230 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	132.072 Da
Monoisotopic Mass	132.072 Da
Topological Polar Surface Area	56.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	64.800
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yibo Yan, Ruilin Yang, Yanan Wang, Yinan Wu, Xiaofei Gu, Xiaoqiang Qiao. (2024) Esterified styrene-maleic acid copolymer modified silica as mixed-mode polymer-brush stationary phases for chromatographic separation. JOURNAL OF CHROMATOGRAPHY A, 1732 (465227).

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