Chemical ID: 7142209

CCc1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
Chemical ID:
7142209
Name [?]:
5-[(2,6-dichlorophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3c(cccc3Cl)Cl)SC2=S
InChi [?]:
InChI=1/C18H13Cl2NOS2/c1-2-11-6-8-12(9-7-11)21-17(22)16(24-18(21)23)10-13-14(19)4-3-5-15(13)20/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,4,8,5,7,13,3,6,14,15,19,12,10,23,21,20,9,11,24,22/E:(4,5)(6,7)(8,9)(14,15)(19,20)/rA:24nCCCCCCCCNCOCCCCCCCCClClSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s15;s12;s9s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl2NOS2
All Atoms:37
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:12.6718
Area:569.71
Solvation:-1.57094
Coulombic:-21.7465
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.54
LogP (Chemaxon):None

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