Chemical ID: 4186822

Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccc(cc3)O)SC2=S
Chemical ID:
4186822
Name [?]:
3-(2,4-dimethylphenyl)-5-[(4-hydroxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccc(cc3)O)SC2=S
InChi [?]:
InChI=1/C18H15NO2S2/c1-11-3-8-15(12(2)9-11)19-17(21)16(23-18(19)22)10-13-4-6-14(20)7-5-13/h3-10,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,3,15,19,16,18,4,7,13,2,6,14,17,5,12,10,22,9,20,11,23,21/E:(4,5)(6,7)/rA:23nCCCCCCCCNCOCCCCCCCCOSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4581
Area:523.508
Solvation:-2.62963
Coulombic:-35.8162
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:341.449
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):5.14

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