Structure

Trifluorothymine

CAS
54-20-6
Catalog Number
ACM54206
Category
Pyrimidines
Molecular Weight
180.08
Molecular Formula
C5H3F3N2O2

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

Melting Point
245-246 °C(lit.)
Appearance
White to Off-White
Powder
What is the molecular formula of Trifluorothymine?

The molecular formula of Trifluorothymine is C5H3F3N2O2.

When was Trifluorothymine created and modified?

Trifluorothymine was created on March 26, 2005, and last modified on December 30, 2023.

What is the IUPAC name of Trifluorothymine?

The IUPAC name of Trifluorothymine is 5-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

What is the InChI of Trifluorothymine?

The InChI of Trifluorothymine is InChI=1S/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12).

What is the InChIKey of Trifluorothymine?

The InChIKey of Trifluorothymine is LMNPKIOZMGYQIU-UHFFFAOYSA-N.

What is the Canonical SMILES of Trifluorothymine?

The Canonical SMILES of Trifluorothymine is C1=C(C(=O)NC(=O)N1)C(F)(F)F.

What is the CAS number of Trifluorothymine?

The CAS number of Trifluorothymine is 54-20-6.

What is the molecular weight of Trifluorothymine?

The molecular weight of Trifluorothymine is 180.08 g/mol.

How many hydrogen bond donor counts does Trifluorothymine have?

Trifluorothymine has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Trifluorothymine have?

Trifluorothymine has 5 hydrogen bond acceptor counts.

Upstream Synthesis Route 1

  • 2314-97-8
  • 66-22-8
  • 54-20-6

Reference: [1] Patent: EP1947092, 2008, A1, . Location in patent: Page/Page column 36; 37

Upstream Synthesis Route 2

  • 66-22-8
  • 54-20-6

Reference: [1] Angewandte Chemie - International Edition, 2015, vol. 54, # 12, p. 3712 - 3716[2] Angew. Chem., 2015, vol. 127, # 12, p. 3783 - 3787,5
[3] Patent: WO2015/168368, 2015, A1, . Location in patent: Paragraph 00234; 00235

Upstream Synthesis Route 3

  • 116393-64-7
  • 54-20-6

Reference: [1]Synthetic Communications,1988,vol. 18,p. 213 - 220

Upstream Synthesis Route 4

  • 75-63-8
  • 66-22-8
  • 54-20-6

Reference: [1]Bulletin of the Chemical Society of Japan,1988,vol. 61,p. 3531 - 3538

Upstream Synthesis Route 5

  • 371-76-6
  • 66-22-8
  • 54-20-6

Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1984,vol. 326,p. 985 - 993

Downstream Synthesis Route 1

  • 54-20-6
  • 3932-97-6

Reference: [1] Patent: US2005/256145, 2005, A1, . Location in patent: Page/Page column 43

* For details of the synthesis route, please refer to the original source to ensure accuracy.

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.