Cas no 5442-32-0 (2,2'-trimethylenebisisothiouronium dibromide)

2,2'-trimethylenebisisothiouronium dibromide structure
5442-32-0 structure
Product Name:2,2'-trimethylenebisisothiouronium dibromide
CAS No:5442-32-0
MF:C5H14Br2N4S2
MW:354.129456043243
CID:372884
PubChem ID:79511
Update Time:2025-04-19

2,2'-trimethylenebisisothiouronium dibromide Chemical and Physical Properties

Names and Identifiers

    • Carbamimidothioic acid,C,C'-1,3-propanediyl ester, hydrobromide (1:2)
    • Carbamimidothioic acid,C,C\'-1,3-propanediyl ester, hydrobromide (1:2)
    • 1,3-Bis-carbamimidoylmercapto-propan,Dihydrobromid
    • 1,3-bis-carbamimidoylmercapto-propane,dihydrobromide
    • 2,2'-trimethylenebisisothiouronium dibromide
    • carbamimidothioicacid,1,3-propanediylester,dihydrobromide
    • propanediisothioureadihydrobromide
    • PROPYLENE DIISOTHIURONIUM DIBROMIDE
    • Pseudourea, 2,2'-trimethylenebis(2-thio-, dihydrobromide
    • AI3-62287
    • Pseudourea, propanebis(2'-thio-, dihydrobromide
    • Carbamimidothioic acid, C,C'-1,3-propanediyl ester, hydrobromide (1:2)
    • Propane diisothiourea dihydrobromide
    • Pseudourea, 2,2'-trimethylenedithiodi-, dihydrobromide
    • 2,2'-Trimethylenebis(2-thiopseudourea) dihydrobromide
    • s,s'-(1,3-propanediyl)bis(isothiouronium bromide)
    • 3-carbamimidoylsulfanylpropyl carbamimidothioate;dihydrobromide
    • EINECS 226-635-5
    • 5442-32-0
    • NSC 12755
    • AKOS024420909
    • Inchi: 1S/C5H12N4S2.2BrH/c6-4(7)10-2-1-3-11-5(8)9;;/h1-3H2,(H3,6,7)(H3,8,9);2*1H
    • InChI Key: VKQIPFNBHQJEQV-UHFFFAOYSA-N
    • SMILES: Br.Br.S(C(=N)N)CCCSC(=N)N

Computed Properties

  • Exact Mass: 271.97700
  • Monoisotopic Mass: 351.903
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 131
  • 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: 150A^2

Experimental Properties

  • Boiling Point: 343.8°Cat760mmHg
  • Flash Point: 161.7°C
  • PSA: 150.34000
  • LogP: 3.18800

2,2'-trimethylenebisisothiouronium dibromide Security Information

  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi

2,2'-trimethylenebisisothiouronium dibromide Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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