Chemical ID: 4860201

Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccccc3OC)SC2=S
Chemical ID:
4860201
Name [?]:
3-(2,4-dimethylphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccccc3OC)SC2=S
InChi [?]:
InChI=1/C19H17NO2S2/c1-12-8-9-15(13(2)10-12)20-18(21)17(24-19(20)23)11-14-6-4-5-7-16(14)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,16,17,15,18,3,4,7,13,2,6,14,5,19,12,10,23,9,11,20,24,22/rA:24nCCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7928
Area:540.858
Solvation:-2.72865
Coulombic:-27.6315
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:355.476
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):5.17

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