4-Thiouracil

CAS Registry Number®

591-28-6

CAS Name

4-Thiouracil

Molecular Formula

C4H4N2OS

Molecular Mass

128.15

Cite this Page

4-Thiouracil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=591-28-6 (retrieved 2024-12-20) (CAS RN: 591-28-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    289-290 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)

InChIKey

InChIKey=OVONXEQGWXGFJD-UHFFFAOYSA-N

SMILES

S=C1NC(=O)NC=C1

Canonical SMILES

O=C1NC=CC(=S)N1

Other Names for this Substance

  • 2(1H)-Pyrimidinone, 3,4-dihydro-4-thioxo-
  • Uracil, 4-thio-
  • 3,4-Dihydro-4-thioxo-2(1H)-pyrimidinone
  • 4-Thiouracil
  • 4-Thiopyrimidin-2-one

View All

Deleted or Replaced CAS Registry Numbers

107646-91-3, 107646-90-2, 4401-50-7, 4401-51-8, 4401-52-9

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