(±)-Thiopental

CAS Registry Number®

76-75-5
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CAS Name

(±)-Thiopental

Molecular Formula

C11H18N2O2S

Molecular Mass

242.34

Cite this Page

(±)-Thiopental.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=76-75-5 (retrieved 2024-05-20) (CAS RN: 76-75-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-159 °C

Source(s)

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=IUJDSEJGGMCXSG-UHFFFAOYSA-N

SMILES

C(CCC)(C)C1(CC)C(=O)NC(=S)NC1=O

Canonical SMILES

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-
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-
  • 5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • Intraval
  • Penthiobarbital

Deleted or Replaced CAS Registry Numbers

59709-53-4

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