Chemical ID: 6523538

c1cc(ccc1C(F)(F)F)NC(=S)NC2CCCCC2
Chemical ID:
6523538
Name [?]:
3-cyclohexyl-1-[4-(trifluoromethyl)phenyl]-thiourea
SMILES [?]:
c1cc(ccc1C(F)(F)F)NC(=S)NC2CCCCC2
InChi [?]:
InChI=1/C14H17F3N2S/c15-14(16,17)10-6-8-12(9-7-10)19-13(20)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,6,15,3,12,7,8,9,10,14,11,13/E:(2,3)(4,5)(6,7)(8,9)(15,16,17)/rA:20nCCCCCCCFFFNCSNCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s3;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17F3N2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.9112
Area:460.99
Solvation:-1.61355
Coulombic:-44.678
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.359
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.44
LogP (Chemaxon):4.55

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