Cas no 31090-77-4 (Thiourea,N-(2-aminoethyl)-N'-phenyl-)

Thiourea,N-(2-aminoethyl)-N'-phenyl- structure
31090-77-4 structure
Product Name:Thiourea,N-(2-aminoethyl)-N'-phenyl-
CAS No:31090-77-4
MF:C9H13N3S
MW:195.284620046616
CID:319047
PubChem ID:2143454
Update Time:2025-04-19

Thiourea,N-(2-aminoethyl)-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N-(2-aminoethyl)-N'-phenyl-
    • 1-(2-aminoethyl)-3-phenylthiourea
    • SCHEMBL4397993
    • SASBDWJDZUQEAL-UHFFFAOYSA-N
    • 31090-77-4
    • 1-Aept
    • Oprea1_068838
    • F0856-0086
    • AKOS000267294
    • SDCCGMLS-0065497.P001
    • N-(2-Aminoethyl)-N'-phenylthiourea
    • HMS1786B07
    • Thiourea, N-(2-aminoethyl)-N'-phenyl-
    • DTXSID90185037
    • CHEMBL1192304
    • Z56814594
    • MDL: MFCD02721511
    • Inchi: 1S/C9H13N3S/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
    • InChI Key: SASBDWJDZUQEAL-UHFFFAOYSA-N
    • SMILES: S=C(NC1C=CC=CC=1)NCCN

Computed Properties

  • Exact Mass: 195.08319
  • Monoisotopic Mass: 195.083018
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 155
  • 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: 0.1
  • Topological Polar Surface Area: 82.2

Experimental Properties

  • Density: 1.225
  • Boiling Point: 316.8°C at 760 mmHg
  • Flash Point: 145.4°C
  • Refractive Index: 1.67
  • PSA: 50.08

Thiourea,N-(2-aminoethyl)-N'-phenyl- Related Literature

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