Thiamylal

CAS Registry Number®

77-27-0

CAS Name

Thiamylal

Molecular Formula

C12H18N2O2S

Molecular Mass

254.35

Cite this Page

Thiamylal.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-27-0 (retrieved 2024-11-21) (CAS RN: 77-27-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-133 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

InChIKey

InChIKey=XLOMZPUITCYLMJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1NC(=S)NC(=O)C1(CC=C)C(C)CCC

Other Names for this Substance

  • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo-
  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-
  • Dihydro-5-(1-methylbutyl)-5-(2-propen-1-yl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid

View All

Deleted or Replaced CAS Registry Numbers

1340-07-4, 7187-63-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration