Cas no 1704-03-6 (Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI))

Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI) structure
1704-03-6 structure
Product Name:Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI)
CAS No:1704-03-6
MF:C5H15Br2N3S
MW:309.065697908401
CID:164733
PubChem ID:102153
Update Time:2025-04-19

Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI)
    • 2-aminoethyl N'-ethylcarbamimidothioate,dihydrobromide
    • USAF B-61
    • 1704-03-6
    • Pseudourea, 2-(2-aminoethyl)-1-ethyl-2-thio-, dihydrobromide
    • 1-Ethyl-2-(2-aminoethyl)isothiouronium dibromide
    • Carbamimidothioic acid, ethyl-, 2-aminoethyl ester, dihydrobromide
    • Inchi: 1S/C5H13N3S.2BrH/c1-2-8-5(7)9-4-3-6;;/h2-4,6H2,1H3,(H2,7,8);2*1H
    • InChI Key: HETKPDLDBOPSJP-UHFFFAOYSA-N
    • SMILES: Br.Br.S(/C(/N)=N\CC)CCN

Computed Properties

  • Exact Mass: 306.93545
  • Monoisotopic Mass: 306.935343
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 92.2
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 89.7

Experimental Properties

  • Boiling Point: 267°Cat760mmHg
  • Flash Point: 115.3°C
  • PSA: 64.4
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