Chemical ID: 6120762

CCOc1ccccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C)C
Chemical ID:
6120762
Name [?]:
3-(3,4-dimethylphenyl)-5-[(2-ethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)N(C(=S)S2)c3ccc(c(c3)C)C
InChi [?]:
InChI=1/C20H19NO2S2/c1-4-23-17-8-6-5-7-15(17)12-18-19(22)21(20(24)25-18)16-10-9-13(2)14(3)11-16/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,24,2,7,6,8,5,20,19,23,10,21,22,9,18,4,11,12,15,14,13,3,16,17/rA:25nCCOCCCCCCCCCONCSSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8066
Area:576.56
Solvation:-2.60744
Coulombic:-27.8363
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:369.502
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.6
LogP (Chemaxon):5.51

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