Cas no 6297-19-4 (1-(dimethylamino)-3-phenylthiourea)

1-(dimethylamino)-3-phenylthiourea structure
6297-19-4 structure
Product Name:1-(dimethylamino)-3-phenylthiourea
CAS No:6297-19-4
MF:C9H13N3S
MW:195.284620046616
CID:958421
PubChem ID:3034493
Update Time:2025-04-19

1-(dimethylamino)-3-phenylthiourea Chemical and Physical Properties

Names and Identifiers

    • 1-(dimethylamino)-3-phenylthiourea
    • 1,1-Dimethyl-4-phenylthiosemicarbazide
    • 1,1-Dimethyl-4-phenyl-3-thiosemicarbazide
    • 1,1-Dimethyl-4-phenyl-thiosemicarbazid
    • 1,1-dimethylamino-3-phenyl thiosemicarbazide
    • 4-Phenyl-1,1-dimethyl-thiosemicarbazid
    • AC1MHXLY
    • amp
    • BRN 2834246
    • CTK5B6866
    • MN1&amp
    • NSC17314
    • Semicarbazide, 1,1-dimethyl-4-phenyl-3-thio-
    • WLN: SUYMR&amp
    • 2,2-Dimethyl-N-phenylhydrazinecarbothioamide
    • Semicarbazide,1-dimethyl-4-phenyl-3-thio-
    • WLN: SUYMR&MN1&1
    • SCHEMBL11884002
    • UNII-6BB91611R1
    • AKOS003630195
    • DTXSID20212168
    • 6BB91611R1
    • Hydrazinecarbothioamide,2-dimethyl-N-phenyl-
    • NSC 17314
    • 6297-19-4
    • Hydrazinecarbothioamide, 2,2-dimethyl-N-phenyl-
    • dimethyl 4-phenylthiosemicarbazide
    • NSC-17314
    • Inchi: 1S/C9H13N3S/c1-12(2)11-9(13)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,10,11,13)
    • InChI Key: IDMWSSMMYXZGQS-UHFFFAOYSA-N
    • SMILES: S=C(NN(C)C)NC1C=CC=CC=1

Computed Properties

  • Exact Mass: 195.08319
  • Monoisotopic Mass: 195.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 164
  • 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: 1.8
  • Topological Polar Surface Area: 59.4?2

Experimental Properties

  • Density: 1.198
  • Boiling Point: 273.5°C at 760 mmHg
  • Flash Point: 119.2°C
  • Refractive Index: 1.654
  • PSA: 27.3
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