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Chemical ID: 4148168
Chemical ID:
4148168
Name [?]:
5-[(2-chlorophenyl)methylene]-3-(2,3-dimethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccccc3Cl)SC2=S
InChi [?]:
InChI=1/C18H14ClNOS2/c1-11-6-5-9-15(12(11)2)20-17(21)16(23-18(20)22)10-13-7-3-4-8-14(13)19/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,17,4,3,15,18,5,13,2,7,14,19,6,12,10,22,20,9,11,23,21/rA:23nCCCCCCCCNCOCCCCCCCCClSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;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: | 11.6832 |
Area: | 529.019 |
Solvation: | -1.54228 |
Coulombic: | -21.2637 |
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: | 4.68 |
LogP (Chemaxon): | 5.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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