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1,3-Dibutylthiourea - >97.0%, high purity , CAS No.109-46-6

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 109-46-6
Molecular Weight: 188.33
Beilstein Registry Number: 507434
MDL number: MFCD00004926
PubChem CID: 2723622
PubChem SID: 504760787

In stock

Item Number

D154880

Grouped product items
SKU	Size	Availability	Price
D154880-25g	25g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$28.90
D154880-100g	100g	3	$102.90
D154880-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$138.90

View related series

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

Basic Description

Synonyms	Urea,1,3-dibutyl-2-thio- \| DTXCID6022187 \| 1.3-dibutyl-thiourea \| J-002288 \| 1,3-Dibutyl-2-thiourea \| AB01334003-02 \| NCGC00248245-02 \| Tox21_300986 \| s-dibutylthiourea \| Urea, 1,3-di-N-butyl-2-thio- \| N,N'-Dibutylthiourea, 97% \| SCHEMBL11844895 \| NCGC002
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Application N,N'-Di-n-butylthiourea is used in vulcanization accelerator and corrosion inhibitors for metal treatments. It is used as leather, plastic and rubber auxiliary agents.

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	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	504760787
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504760787
IUPAC Name	1,3-dibutylthiourea
INCHI	InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
InChIKey	KFFQABQEJATQAT-UHFFFAOYSA-N
Smiles	CCCCNC(=S)NCCCC
Isomeric SMILES	CCCCNC(=S)NCCCC
WGK Germany	3
RTECS	YS8400000
Molecular Weight	188.33
Beilstein	507434
Reaxy-Rn	507434
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507434&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
L2216894	Certificate of Analysis	Dec 22, 2022	D154880
K2222351	Certificate of Analysis	Nov 30, 2022	D154880
J2215232	Certificate of Analysis	Jul 21, 2022	D154880
J2215233	Certificate of Analysis	Jul 21, 2022	D154880
J2215234	Certificate of Analysis	Jul 21, 2022	D154880
J2215121	Certificate of Analysis	Jul 21, 2022	D154880
I1825032	Certificate of Analysis	Jul 20, 2022	D154880
F2328149	Certificate of Analysis	Jul 20, 2022	D154880

Chemical and Physical Properties

Solubility	Insoluble in water.
Boil Point(°C)	128°C
Melt Point(°C)	63-65°C
Molecular Weight	188.340 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	188.135 Da
Monoisotopic Mass	188.135 Da
Topological Polar Surface Area	56.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	103.000
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

Citations of This Product

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