Chemical ID: 6120763

Cc1ccc(cc1C)N2C(=O)C(=Cc3ccccc3Cl)SC2=S
Chemical ID:
6120763
Name [?]:
5-[(2-chlorophenyl)methylene]-3-(3,4-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N2C(=O)C(=Cc3ccccc3Cl)SC2=S
InChi [?]:
InChI=1/C18H14ClNOS2/c1-11-7-8-14(9-12(11)2)20-17(21)16(23-18(20)22)10-13-5-3-4-6-15(13)19/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,17,15,18,3,4,6,13,2,7,14,5,19,12,10,22,20,9,11,23,21/rA:23nCCCCCCCCNCOCCCCCCCCClSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNOS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9761
Area:539.843
Solvation:-1.52001
Coulombic:-21.1575
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:359.895
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.89
LogP (Chemaxon):5.94

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