ChemDB: Chemical Search
Download
Chemical ID: 4738204
Chemical ID:
4738204
Name [?]:
5-[(3,4-dichlorophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(c(cc1C=C2C(=O)NC(=S)S2)Cl)Cl
InChi [?]:
InChI=1/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,7,6,3,4,8,9,12,16,15,11,10,13,14/rA:16nCCCCCCCCCONCSSClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s4;s3;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5Cl2NOS2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67078 |
Area: | 441.482 |
Solvation: | -1.36627 |
Coulombic: | -24.4794 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 290.19 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.6 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|