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

CAS: 109-46-6 Cat. No.: D154880 Summenformel: C₉H₂₀N₂S Molekulargewicht: 188.33 Beilstein Registry Number: 507434 EG-Nummer: 203-674-6

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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504760787

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760787

Kanonisches Lächeln

CCCCNC(=S)NCCCC

IUPAC Name

1,3-dibutylthiourea

InChIKey

KFFQABQEJATQAT-UHFFFAOYSA-N

INCHI

1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

Isomere SMILES

CCCCNC(=S)NCCCC

WGK Deutschland

3

RTECS

YS8400000

Molekulargewicht

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: 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
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Siedepunkt (°C): 128°C
• Schmelzpunkt (°C): 63-65°C
• Molekulargewicht: 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 Ų
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-46-6, the molecular formula is C9H20N2S, and the molecular weight is 188.33 g/mol. InChIKey KFFQABQEJATQAT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.