Chemical ID: 6164289

c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
Chemical ID:
6164289
Name [?]:
5-[(2,4-dichlorophenyl)methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C16H9Cl2NOS2/c17-11-7-6-10(13(18)9-11)8-14-15(20)19(16(21)22-14)12-4-2-1-3-5-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,14,11,16,12,15,4,17,10,8,21,19,18,7,9,22,20/E:(2,3)(4,5)/rA:22nCCCCCCNCOCCCCCCCCClClSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;s10;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9Cl2NOS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.8769
Area:533.805
Solvation:-1.46823
Coulombic:-21.5303
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:366.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):5.52

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