Cas no 76-75-5 (4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-)

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- structure
76-75-5 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
CAS No:76-75-5
MF:C11H18N2O2S
MW:242.337821483612
MDL:MFCD00057564
CID:563199
PubChem ID:329751308
Update Time:2025-04-19

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- Chemical and Physical Properties

Names and Identifiers

    • 4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
    • (+/-)-THIOPENTAL
    • (±)Thiopental solution
    • THIOPENTAL
    • Thiopentalneat
    • (±)-Thiopental
    • 5-Aethyl-5-(1-methyl-butyl)-2-thio-barbitursaeure
    • 5-ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
    • 5-ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
    • Intraval
    • Nesdonal
    • Penthiobarbital
    • Pentothal
    • PENTOTHAL ACID
    • Thiomebumal
    • THIOPENTONE
    • Thiothal
    • Tiopentale
    • SCHEMBL11946652
    • THIOPENTAL [WHO-DD]
    • 76-75-5
    • Spectrum4_000575
    • 5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • (.+/-.)-Thiopental
    • 5-24-09-00172 (Beilstein Handbook Reference)
    • IUJDSEJGGMCXSG-UHFFFAOYSA-N
    • CHEMBL441
    • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-
    • Tiopentale [Italian]
    • Thiopental sodium (Salt/Mix)
    • Pentothal (Salt/Mix)
    • Thiopental, European Pharmacopoeia (EP) Reference Standard
    • CHEBI:102166
    • NCGC00159524-01
    • 5-ethyl-2-mercapto-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione
    • 5-ethyl-5-(pentan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
    • Penthiobarbital sodium (Salt/Mix)
    • GTPL2579
    • Thiopental (1mg/ml in Acetonitrile)
    • THIOPENTAL CIII [USP-RS]
    • 2-Thio-5-ethyl-5-sec-pentylbarbituric acid
    • BRD-A72603112-236-02-4
    • EC 200-984-3
    • Spectrum3_001781
    • Spectrum_001786
    • BDBM50058058
    • IDI1_000993
    • SPBio_002215
    • Trapanal
    • Farmotal (Salt/Mix)
    • NS00000379
    • JI8Z5M7NA3
    • Thionembutal
    • Spectrum2_001998
    • HSDB 7791
    • Trapanal (Salt/Mix)
    • 4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
    • Thiopental ciii
    • (+-)-Thiopental
    • 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
    • Pentothiobarbital
    • BRN 0209361
    • 5-ethyl-2-mercapto-5-(pentan-2-yl)pyrimidine-4,6(1H,5H)-dione
    • THIOPENTAL [VANDF]
    • C07521
    • Sodium pentothal
    • KBio1_000993
    • Thiopental, 1mg/ml in Methanol
    • Epitope ID:116047
    • KBio2_007408
    • 5-Ethyl-2-mercapto-5-(1-methyl-butyl)-1H-pyrimidine-4,6-dione
    • Spectrum5_001692
    • 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
    • KBioSS_002273
    • Thiopental, United States Pharmacopeia (USP) Reference Standard
    • SCHEMBL1611312
    • EINECS 200-984-3
    • DTXSID1023653
    • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
    • DivK1c_000993
    • UNII-JI8Z5M7NA3
    • Thiopental [BAN]
    • DB00599
    • AKOS015901914
    • Nesdonal (Salt/Mix)
    • Thiopental for system suitability, European Pharmacopoeia (EP) Reference Standard
    • 5-Ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
    • KBio2_004840
    • Thiopentobarbituric acid
    • Thiopentobarbital
    • KBio2_002272
    • NINDS_000993
    • 71-73-8
    • Hypnostan (Salt/Mix)
    • KBioGR_001010
    • Leopental (Salt/Mix)
    • THIOPENTAL [HSDB]
    • KBio3_002803
    • AC-16029
    • FT-0603282
    • BSPBio_003301
    • Thiopentobarbitone
    • 5-ethyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione
    • THIOPENTAL SODIUM
    • 1ST11025-100A
    • DB-056123
    • BRD-A72603112-236-05-7
    • Thiopental Solution in Acetonitrile, 100ug/mL
    • pyrimidine-4,6(1H,5H)-dione, 5-ethyl-2,3-dihydro-5-(1-methylbutyl)-2-thioxo-
    • BRD-A72603112-236-04-0
    • pyrimidine, 5-ethyl-5,6-dihydro-4-hydroxy-2-mercapto-5-(1-methylbutyl)-6-oxo-
    • MDL： MFCD00057564
    • Inchi： 1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
    • InChI Key： IUJDSEJGGMCXSG-UHFFFAOYSA-N
    • SMILES： S=C1NC(C(C(N1)=O)(CC)C(C)CCC)=O

Computed Properties

  • Exact Mass: 242.10900
  • Monoisotopic Mass: 242.109
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 308
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 90.3A^2
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Solid
  • Density: 1.1789 (rough estimate)
  • Melting Point: 158-160°C
  • Flash Point: 11℃
  • Refractive Index: 1.5440 (estimate)
  • Solubility: ethanol: complete50mg/mL
  • PSA: 90.29000
  • LogP: 2.00750
  • Vapor Pressure: 2.2X10-10 mm Hg at 25 °C (est)

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- Security Information

4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- Pricemore >>

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