Chemical ID: 4692409

c1c(cc(cc1Cl)Cl)N2C(=O)CSC2=O
Chemical ID:
4692409
Name [?]:
3-(3,5-dichlorophenyl)thiazolidine-2,4-dione
SMILES [?]:
c1c(cc(cc1Cl)Cl)N2C(=O)CSC2=O
InChi [?]:
InChI=1/C9H5Cl2NO2S/c10-5-1-6(11)3-7(2-5)12-8(13)4-15-9(12)14/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:5,1,3,12,6,4,2,10,14,7,8,9,11,15,13/E:(2,3)(5,6)(10,11)/rA:15nCCCCCCClClNCOCSCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5Cl2NO2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.8666
Area:412.372
Solvation:-2.44269
Coulombic:-25.9601
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:262.113
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.25
LogP (Chemaxon):2.61

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Descriptor Annotations

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