Chemical ID: 5636634

Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3ccccc3
Chemical ID:
5636634
Name [?]:
5-(m-tolylmethylene)-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)C=C2C(=O)N(C(=S)S2)c3ccccc3
InChi [?]:
InChI=1/C17H13NOS2/c1-12-6-5-7-13(10-12)11-15-16(19)18(17(20)21-15)14-8-3-2-4-9-14/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,4,3,5,17,21,7,8,2,6,16,9,10,13,12,11,14,15/E:(3,4)(8,9)/rA:21nCCCCCCCCCCONCSSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NOS2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.6743
Area:493.873
Solvation:-1.67251
Coulombic:-20.9959
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.423
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.83
LogP (Chemaxon):4.96

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