Cas no 142620-95-9 (Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester)

Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester structure
142620-95-9 structure
Product Name:Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester
CAS No:142620-95-9
MF:C9H21N3S
MW:203.348140478134
CID:171408
PubChem ID:132460
Update Time:2025-04-19

Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamimidothioic acid,2-[bis(1-methylethyl)amino]ethyl ester
    • 2-[di(propan-2-yl)amino]ethyl carbamimidothioate
    • 2-(Bis(1-methylethyl)amino)ethyl carbamimidothioate
    • 2-(dipropan-2-ylamino)ethyl carbamimidothioate
    • Carbamimidothioic acid, 2-(bis(1-methylethyl)amino)ethyl ester
    • DINOR
    • S-(2-(N,N-Diisopropylamino)ethyl)isothiourea
    • 142620-95-9
    • DTXSID70162104
    • Inchi: 1S/C9H21N3S/c1-7(2)12(8(3)4)5-6-13-9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
    • InChI Key: LZIAMMQBHJIZAG-UHFFFAOYSA-N
    • SMILES: S(C(=N)N)CCN(C(C)C)C(C)C

Computed Properties

  • Exact Mass: 203.14583
  • Monoisotopic Mass: 203.14561886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 149
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.8
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 53.11
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