Chemical ID: 7141463

Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3cccc(c3)C(=O)C
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

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Descriptor Annotations

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