Cas no 6814-99-9 ((butan-2-yl)thiourea)

(Butan-2-yl)thiourea is a thiourea derivative where the nitrogen atoms are substituted with a sec-butyl group. This compound is primarily utilized in organic synthesis and coordination chemistry due to its ability to act as a ligand, forming stable complexes with transition metals. Its structural flexibility and electron-donating properties make it valuable in catalytic applications and material science. Additionally, (butan-2-yl)thiourea exhibits potential as a precursor in the synthesis of heterocyclic compounds. The sec-butyl substituent enhances solubility in organic solvents, facilitating its use in various reaction conditions. Its stability and well-defined reactivity profile contribute to its utility in research and industrial processes.
(butan-2-yl)thiourea structure
(butan-2-yl)thiourea structure
Product Name:(butan-2-yl)thiourea
CAS No:6814-99-9
MF:C5H12N2S
MW:132.227179527283
CID:1730069
PubChem ID:3346206
Update Time:2025-05-28

(butan-2-yl)thiourea Chemical and Physical Properties

Names and Identifiers

    • 1-(1-methylpropyl)thiourea
    • 1-sec-Butylthiourea
    • sec-Butyl-thiourea
    • thiourea, N-(1-methylpropyl)-
    • butan-2-ylthiourea
    • HMS1754J03
    • 6814-99-9
    • (butan-2-yl)thiourea
    • SCHEMBL1369361
    • CS-0220060
    • AKOS005198782
    • 1-(sec-Butyl)thiourea
    • DTXSID00391667
    • EN300-05649
    • 1-s-butylthiourea
    • Z56907642
    • 1-butan-2-ylthiourea
    • STL412557
    • G35681
    • MDL: MFCD03978475
    • Inchi: 1S/C5H12N2S/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
    • InChI Key: WFDOLCYFWRFQEG-UHFFFAOYSA-N
    • SMILES: S=C(N)NC(C)CC

Computed Properties

  • Exact Mass: 132.07226
  • Monoisotopic Mass: 132.07211956g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 82.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.9
  • Topological Polar Surface Area: 70.1?2

Experimental Properties

  • PSA: 38.05

(butan-2-yl)thiourea Pricemore >>

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