Chemical ID: 4117329

c1ccc(c(c1)C(F)(F)F)S
Chemical ID:
4117329
Name [?]:
2-(trifluoromethyl)benzenethiol
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)S
InChi [?]:
InChI=1/C7H5F3S/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,8,9,10,11/E:(8,9,10)/rA:11nCCCCCCCFFFS/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5F3S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.8028
Area:288.302
Solvation:-1.40475
Coulombic:-22.1824
Bond Count [?]
All:11
Single:8
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.176
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.33
LogP (Chemaxon):3.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue