Pentothal

CAS Registry Number®

71-73-8
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CAS Name

Pentothal

Molecular Formula

C11H18N2O2S.Na

Cite this Page

Pentothal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=71-73-8 (retrieved 2021-09-19) (CAS RN: 71-73-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H18N2O2S.Na/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);

InChIKey

InChIKey=PAWYKYXVHHGVOH-UHFFFAOYSA-N

SMILES

C(CCC)(C)C1(CC)C(=O)NC(=S)NC1=O.[Na]

Canonical SMILES

[Na].O=C1NC(=S)NC(=O)C1(CC)C(C)CCC

Other Names for this Substance

  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, sodium salt (1:1)
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium salt
  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-, monosodium salt
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-, sodium deriv.
  • 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid monosodium

Deleted or Replaced CAS Registry Numbers

7438-31-5, 51259-80-4