Chemical ID: 4738204

c1cc(c(cc1C=C2C(=O)NC(=S)S2)Cl)Cl
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

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Descriptor Annotations

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