Ethylbutyl thiourea - ≥97% , CAS No.32900-06-4

CAS: 32900-06-4 Cat. No.: E1038868 Formula: C₇H₁₆N₂S Peso molecolare: 160.280 Numero EC: 251-285-5

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CCCCNC(=S)NCC
• IUPAC Name: 1-butyl-3-ethylthiourea
• InChIKey: HZSRFLLZMWDVEV-UHFFFAOYSA-N
• INCHI: 1S/C7H16N2S/c1-3-5-6-9-7(10)8-4-2/h3-6H2,1-2H3,(H2,8,9,10)
• Peso molecolare: 160.280

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioureas

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioureas
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioureas
• Alternative Parents: Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiourea - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 160.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 160.103 Da
• Monoisotopic Mass: 160.103 Da
• Topological Polar Surface Area: 56.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.600
• 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