Chemical ID: 7144825

Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S
Chemical ID:
7144825
Name [?]:
4-[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzaldehyde
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S
InChi [?]:
InChI=1/C19H15NO2S2/c1-12-4-3-5-16(13(12)2)20-18(22)17(24-19(20)23)10-14-6-8-15(11-21)9-7-14/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,15,19,16,18,13,20,2,7,14,17,6,12,10,23,9,21,11,24,22/E:(6,7)(8,9)/rA:24nCCCCCCCCNCOCCCCCCCCCOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;d20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO2S2
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6157
Area:545.873
Solvation:-3.03116
Coulombic:-27.148
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:353.46
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):5.1

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