Chemical ID: 4301172

Cc1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
Chemical ID:
4301172
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-(p-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C17H11Cl2NOS2/c1-10-5-7-11(8-6-10)20-16(21)15(23-17(20)22)9-12-13(18)3-2-4-14(12)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,3,7,4,6,12,2,5,13,14,18,11,9,22,20,19,8,10,23,21/E:(3,4)(5,6)(7,8)(13,14)(18,19)/rA:23nCCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s14;s11;s8s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11Cl2NOS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.8208
Area:533.63
Solvation:-1.5199
Coulombic:-21.2445
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:380.313
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):5.99

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