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Chemical ID: 7141463
Chemical ID:
7141463
Name [?]:
3-(3-acetylphenyl)-5-(m-tolylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)C
InChi [?]:
InChI=1/C19H15NO2S2/c1-12-5-3-6-14(9-12)10-17-18(22)20(19(23)24-17)16-8-4-7-15(11-16)13(2)21/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,4,18,3,5,19,17,7,8,21,2,22,6,20,16,9,10,13,12,23,11,14,15/rA:24nCCCCCCCCCCONCSSCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO2S2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1501 |
Area: | 554.971 |
Solvation: | -2.72416 |
Coulombic: | -27.5201 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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