Chemical ID: 4698494

c1cc(c(cc1NC(=S)N)C(F)(F)F)Cl
Chemical ID:
4698494
Name [?]:
[4-chloro-3-(trifluoromethyl)phenyl]thiourea
SMILES [?]:
c1cc(c(cc1NC(=S)N)C(F)(F)F)Cl
InChi [?]:
InChI=1/C8H6ClF3N2S/c9-6-2-1-4(14-7(13)15)3-5(6)8(10,11)12/h1-3H,(H3,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,11,15,12,13,14,10,7,9/E:(10,11,12)/rA:15nCCCCCCNCSNCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s4;s11;s11;s11;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6ClF3N2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.5529
Area:372.444
Solvation:-1.7582
Coulombic:-47.2394
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.661
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:2.77
LogP (Chemaxon):3.24

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