Cas no 17124-82-2 (Carbamimidothioic acid,2-(dimethylamino)ethyl ester)

Carbamimidothioic acid,2-(dimethylamino)ethyl ester structure
17124-82-2 structure
Product Name:Carbamimidothioic acid,2-(dimethylamino)ethyl ester
CAS No:17124-82-2
MF:C5H13N3S
MW:147.241819143295
CID:173400
PubChem ID:85296
Update Time:2025-04-19

Carbamimidothioic acid,2-(dimethylamino)ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamimidothioic acid,2-(dimethylamino)ethyl ester
    • nordimaprit
    • 2-(S-Dimethylaminoethyl)isothiourea
    • SK&F 91487
    • Skf-91487
    • DTXSID40864663
    • 2-(Dimethylaminoethyl) iminoaminomethyl sulfide
    • Carbamimidothioic acid, 2-(dimethylamino)ethyl ester
    • starbld0005051
    • 17124-82-2
    • 2-(Dimethylamino)ethyl imidothiocarbamate #
    • 2-(dimethylamino)ethyl carbamimidothioate
    • AKOS006221645
    • MUYRPUKYVOXLSN-UHFFFAOYSA-N
    • SCHEMBL7216548
    • Inchi: 1S/C5H13N3S/c1-8(2)3-4-9-5(6)7/h3-4H2,1-2H3,(H3,6,7)
    • InChI Key: MUYRPUKYVOXLSN-UHFFFAOYSA-N
    • SMILES: S(C(=N)N)CCN(C)C

Computed Properties

  • Exact Mass: 147.08319
  • Monoisotopic Mass: 147.08301860g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 92.2
  • 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: 0.2
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 53.11
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