Chemical ID: 4512791

CCN1C(=O)C(=Cc2ccc(cc2)OC)SC1=S
Chemical ID:
4512791
Name [?]:
3-ethyl-5-[(4-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)OC)SC1=S
InChi [?]:
InChI=1/C13H13NO2S2/c1-3-14-12(15)11(18-13(14)17)8-9-4-6-10(16-2)7-5-9/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,9,13,10,12,7,8,11,6,4,17,3,5,14,18,16/E:(4,5)(6,7)/rA:18nCCNCOCCCCCCCCOCSCS/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s6;s3s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO2S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.63528
Area:452.886
Solvation:-2.68687
Coulombic:-26.7294
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:279.38
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.9

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