Chemical ID: 5840489

c1c(nc([nH]c1=O)S)C(F)(F)F
Chemical ID:
5840489
Name [?]:
2-sulfanyl-6-(trifluoromethyl)-3H-pyrimidin-4-one
SMILES [?]:
c1c(nc([nH]c1=O)S)C(F)(F)F
InChi [?]:
InChI=1/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,9,10,11,12,3,5,7,8/E:(6,7,8)/rA:12nCCNCNCOSCFFF/rB:d1;s2;d3;s4;s1s5;d6;s4;s2;s9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H3F3N2OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.32862
Area:311.232
Solvation:-2.4522
Coulombic:-45.3966
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:196.151
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.67
LogP (Chemaxon):1.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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