ChemDB: Chemical Search
Download
Chemical ID: 7089896
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|