Chemical ID: 6602077

c1cc(ccc1NC(=S)NC2CCC(CC2)O)SC(F)F
Chemical ID:
6602077
Name [?]:
1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-hydroxycyclohexyl)-thiourea
SMILES [?]:
c1cc(ccc1NC(=S)NC2CCC(CC2)O)SC(F)F
InChi [?]:
InChI=1/C14H18F2N2OS2/c15-13(16)21-12-7-3-10(4-8-12)18-14(20)17-9-1-5-11(19)6-2-9/h3-4,7-9,11,13,19H,1-2,5-6H2,(H2,17,18,20)
InChi Info:
AuxInfo=1/1/N:12,16,1,5,13,15,2,4,11,6,14,3,19,8,20,21,10,7,17,9,18/E:(1,2)(3,4)(5,6)(7,8)(15,16)/rA:21nCCCCCCNCSNCCCCCCOSCFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s14;s3;s18;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18F2N2OS2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.69656
Area:502.686
Solvation:-3.8706
Coulombic:-51.9863
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.434
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.51
LogP (Chemaxon):4.14

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