Organofluorine / Alfa Chemistry
2-(Prop-2-yn-1-ylthio)-6-(trifluoromethyl)pyrimidin-4(3h)-one

2-(Prop-2-yn-1-ylthio)-6-(trifluoromethyl)pyrimidin-4(3h)-one

Products
Online Inquiry
Verification code
2-(Prop-2-yn-1-ylthio)-6-(trifluoromethyl)pyrimidin-4(3h)-one
Catalog OFC141598789
CAS 141598-78-9
Category Fluorinated Pyrimidines
Synonyms 2-prop-2-ynylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
MDL Number MFCD08018587
Click Hereto request a quote

Please kindly note that our products are for research use only.

Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 2-prop-2-ynylsulfanyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI InChI=1S/C8H5F3N2OS/c1-2-3-15-7-12-5(8(9,10)11)4-6(14)13-7/h1,4H,3H2,(H,12,13,14)
InChI Key HJOZLRQXVJYFIU-UHFFFAOYSA-N
Isomeric SMILES C#CCSC1=NC(=CC(=O)N1)C(F)(F)F
Molecular Formula C8H5F3N2OS
Molecular Weight 234.20
XLogP3-AA 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 234.00746845 g/mol
Monoisotopic Mass 234.00746845 g/mol
Topological Polar Surface Area 66.8Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 388

Please kindly note that our products and services are for research use only.

We use cookies to understand how you use our site and to improve the overall user experience. This includes personalizing content and advertising. Read our Privacy Policy

Accept Cookies
x