Chemical ID: 7091417

c1cc(c(cc1N)C(F)(F)F)S
Chemical ID:
7091417
Name [?]:
4-amino-2-(trifluoromethyl)benzenethiol
SMILES [?]:
c1cc(c(cc1N)C(F)(F)F)S
InChi [?]:
InChI=1/C7H6F3NS/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3,12H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,3,8,9,10,11,7,12/E:(8,9,10)/rA:12nCCCCCCNCFFFS/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s8;s8;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6F3NS
All Atoms:18
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.04779
Area:308.163
Solvation:-1.6563
Coulombic:-37.274
Bond Count [?]
All:12
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.19
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.51
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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