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Chemical ID: 4296096
Chemical ID:
4296096
Name [?]:
5-[(2-methoxyphenyl)methylene]-3-(m-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S
InChi [?]:
InChI=1/C18H15NO2S2/c1-12-6-5-8-14(10-12)19-17(20)16(23-18(19)22)11-13-7-3-4-9-15(13)21-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,16,4,3,14,5,17,7,12,2,13,6,18,11,9,22,8,10,19,23,21/rA:23nCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11;s8s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO2S2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5325 |
Area: | 529.158 |
Solvation: | -2.69649 |
Coulombic: | -27.797 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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