Cas no 488-04-0 (holomycin)

holomycin structure
holomycin structure
Product Name:holomycin
CAS No:488-04-0
MF:C7H6N2O2S2
MW:214.264738559723
CID:932094
PubChem ID:10262683
Update Time:2025-04-19

holomycin Chemical and Physical Properties

Names and Identifiers

    • holomycin
    • N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)acetamide
    • acetamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)-
    • N-(4,5-Dihydro-5-oxo-1,2-dithiolo[4,3-b]pyrrol-6-yl)acetamide
    • N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide
    • 488-04-0
    • 44CF65YLF8
    • 1,2-DITHIOLO(4,3-B)PYRROL-5(4H)-ONE, 6-(ACETYLAMINO)-
    • N-(5-Oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl)acetamide
    • CHEBI:156451
    • N-{5-oxo-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-6-yl}acetamide
    • SCHEMBL2722541
    • Q27258732
    • Acetamide, N-(4,5-dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-
    • CS-0113932
    • CHEMBL476226
    • HOLOMYCIN [MI]
    • UNII-44CF65YLF8
    • N-(4,5-dihydro-5-oxo-1,2-dithiolo-[4,3-b]pyrrol-6-yl)acetamide
    • BRN 0188430
    • MS-23176
    • N-(5-oxo-4H-dithiolo[3,4-d]pyrrol-6-yl)acetamide
    • 6-Acetamido-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one
    • N-(4,5-Dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)acetamide
    • N-(4,5-Dihydro-5-oxo-1,2-dithiolo(4,3-b)pyrrol-6-yl)-N-methylformamide
    • HY-135751
    • 6-(acetylamino)-1,2-dithiolo[4,3-b]pyrrol-5(4H)-one
    • 6-acetamido-1,2-dithiolo[4,3-b]pyrrol-5(4H)-one
    • 1,2-DITHIOLO(4,3-B)PYRROL-5(4H)-ONE, 6-ACETAMIDO
    • DTXSID40197605
    • N-(4,5-Dihydro-5-oxo-1,2-dithiolo-(4,3-b)pyrrol-6-yl)acetamide
    • 1,2-Dithiolo(4,3-b)pyrrol-5(4H)-one, 6-acetamido-
    • N-Demethylthiolutin
    • GLXC-02082
    • 6-(Acetylamino)-1,2-dithiolo(4,3-b)pyrrol-5(4H)-one
    • N-(5-oxo-4H,5H-(1,2)dithiolo(4,3-b)pyrrol-6-yl)acetamide
    • N-(5-oxo-4H-Dithiolo(4,3-b)pyrrol-6-yl)acetamide
    • DTXCID60120096
    • N-(5-oxo-4,5-dihydro(1,2)dithiolo(4,3-b)pyrrol-6-yl)acetamide
    • Inchi: 1S/C7H6N2O2S2/c1-3(10)8-5-6-4(2-12-13-6)9-7(5)11/h2H,1H3,(H,8,10)(H,9,11)
    • InChI Key: HBUNPJGMNVQSBX-UHFFFAOYSA-N
    • SMILES: S1C2C(=CS1)NC(C=2NC(C)=O)=O

Computed Properties

  • Exact Mass: 213.98718
  • Monoisotopic Mass: 213.987069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 360
  • 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: 6
  • XLogP3: -0.8
  • Topological Polar Surface Area: 109

Experimental Properties

  • Density: 1.632
  • Boiling Point: 532.147°C at 760 mmHg
  • Flash Point: 275.633°C
  • Refractive Index: 1.742
  • PSA: 58.2

holomycin Security Information

  • Toxicity:LD50 i.v. in mice: 5-10 mg/kg (Von Daehne)

holomycin Pricemore >>

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