Chemical ID: 7142001

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccco3)SC2=S
Chemical ID:
7142001
Name [?]:
3-(3-acetylphenyl)-5-(2-furylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccco3)SC2=S
InChi [?]:
InChI=1/C16H11NO3S2/c1-10(18)11-4-2-5-12(8-11)17-15(19)14(22-16(17)21)9-13-6-3-7-20-13/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,17,5,7,16,18,9,14,2,4,8,15,13,11,21,10,3,12,19,22,20/rA:22nCCOCCCCCCNCOCCCCCCOSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s13;s10s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11NO3S2
All Atoms:33
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:8.35073
Area:508.406
Solvation:-4.35942
Coulombic:-30.4941
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.93
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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