Cas no 109509-79-7 (Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]-)

Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]- structure
109509-79-7 structure
Product Name:Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]-
CAS No:109509-79-7
MF:C11H17N3S
MW:223.337780714035
CID:128455
PubChem ID:15754002
Update Time:2025-04-18

Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]-
    • 1-amino-3-(4-tert-butylphenyl)thiourea
    • 4-(4-TERT-BUTYLPHENYL)-THIOSEMICARBAZIDE
    • 4-(4'-tert-butylphenyl)-3-thiosemicarbazide
    • 4-(4-tert-Butyl-phenyl)-thiosemicarbazid
    • 4-(4-tert-butyl-phenyl)-thiosemicarbazide
    • 4-< 4-tert-Butyl-phenyl> -thiosemicarbazid
    • ACMC-1C61H
    • AG-D-26447
    • CTK4A6552
    • FT-0616671
    • KB-187197
    • Semicarbazide,4-(p-tert-butylphenyl)-3-thio- (6CI)
    • DTXSID70578009
    • 109509-79-7
    • SCHEMBL462576
    • N-(4-tert-Butylphenyl)hydrazinecarbothioamide
    • Inchi： 1S/C11H17N3S/c1-11(2,3)8-4-6-9(7-5-8)13-10(15)14-12/h4-7H,12H2,1-3H3,(H2,13,14,15)
    • InChI Key： RLKQMJZDEMLBLJ-UHFFFAOYSA-N
    • SMILES： S=C(NN)NC1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 223.11451
  • Monoisotopic Mass: 223.11431873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 214
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 82.2?2

Experimental Properties

  • Density: 1.156
  • Boiling Point: 329°C at 760 mmHg
  • Flash Point: 152.8°C
  • Refractive Index: 1.629
  • PSA: 50.08
  • LogP: 3.32880

Hydrazinecarbothioamide,N-[4-(1,1-dimethylethyl)phenyl]- Related Literature

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