Chemical ID: 7089896

c1cc(c(nc1)S)C(F)(F)F
Chemical ID:
7089896
Name [?]:
3-(trifluoromethyl)pyridine-2-thiol
SMILES [?]:
c1cc(c(nc1)S)C(F)(F)F
InChi [?]:
InChI=1/C6H4F3NS/c7-6(8,9)4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,4,8,9,10,11,5,7/E:(7,8,9)/rA:11nCCCCNCSCFFF/rB:s1;d2;s3;d4;d1s5;s4;s3;s8;s8;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4F3NS
All Atoms:15
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.27371
Area:286.658
Solvation:-1.89275
Coulombic:-25.1882
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.164
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.16
LogP (Chemaxon):2.4

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Descriptor Annotations

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