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Chemical ID: 5852966
Chemical ID:
5852966
Name [?]:
3-(2,4-dimethylphenyl)-5-(p-tolylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccc(cc3C)C
InChi [?]:
InChI=1/C19H17NOS2/c1-12-4-7-15(8-5-12)11-17-18(21)20(19(22)23-17)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,7,18,4,6,17,20,8,2,19,21,5,16,9,10,13,12,11,14,15/E:(4,5)(7,8)/rA:23nCCCCCCCCCCONCSSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NOS2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4879 |
Area: | 528.236 |
Solvation: | -1.71803 |
Coulombic: | -20.5821 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.49 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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