Chemical ID: 5852966

Cc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3C)C
Chemical ID:
5852966
Name [?]:
3-(2,4-dimethylphenyl)-5-(p-tolylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3C)C
InChi [?]:
InChI=1/C19H17NOS2/c1-12-4-7-15(8-5-12)11-17-18(21)20(19(22)23-17)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,7,18,4,6,17,20,8,2,19,21,5,16,9,10,13,12,11,14,15/E:(4,5)(7,8)/rA:23nCCCCCCCCCCONCSSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NOS2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.4879
Area:528.236
Solvation:-1.71803
Coulombic:-20.5821
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:339.476
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.49
LogP (Chemaxon):5.89

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue