1,3-Dibutylthiourea - ≥97% , CAS No.109-46-6

CAS: 109-46-6 Cat. No.: D154880 Molecular Weight: 188.33 Beilstein Registry Number: 507434 EC Number: 203-674-6
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
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
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25g
D154880-25g
10

$18.90

$28.90
Save $10.00 (34.60%)
100g
D154880-100g
5

$37.90

$56.90
Save $19.00 (33.39%)
500g
D154880-500g
2

$100.90

$151.90
Save $51.00 (33.57%)
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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.

Specifications

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%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504760787
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760787
Canonical SmilesCCCCNC(=S)NCCCC
IUPAC Name1,3-dibutylthiourea
InChIKeyKFFQABQEJATQAT-UHFFFAOYSA-N
INCHI1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThioureas
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThioureas
Alternative Parents Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

9 results found

Lot NumberCertificate TypeDateItem
D2617084Certificate of AnalysisApr 30, 2026 D154880
I1825032Certificate of AnalysisApr 15, 2026 D154880
L2216894Certificate of AnalysisDec 22, 2022 D154880
K2222351Certificate of AnalysisNov 30, 2022 D154880
J2215121Certificate of AnalysisJul 21, 2022 D154880
J2215232Certificate of AnalysisJul 21, 2022 D154880
J2215233Certificate of AnalysisJul 21, 2022 D154880
J2215234Certificate of AnalysisJul 21, 2022 D154880
F2328149Certificate of AnalysisJul 20, 2022 D154880
Chemical and Physical Properties
SolubilityInsoluble in water.
Boil Point(°C)128°C
Melt Point(°C)63-65°C
Molecular Weight188.340 g/mol
XLogP32.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass188.135 Da
Monoisotopic Mass188.135 Da
Topological Polar Surface Area56.200 Ų
Heavy Atom Count12
Formal Charge0
Complexity103.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Yanpeng Cao, Rui Yan, Xiaoye Wo, Jinlong Ma, Xiao Yu, Aijun Li, Jian Huang, Fenghua Li, Qixian Zhang.  (2024)  A self-healing elastomer with outstanding mechanical properties was designed based on urea bonds.  Journal of Materials Chemistry C,  12  (26): (9685-9692).  [PMID:] [10.1039/D4TC01123F]
Solution Calculators
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