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Chemical ID: 5304255

Chemical ID:

5304255

Name [?]:

3-(3,4-dimethylphenyl)-5-[3-(2-furyl)prop-2-enylidene]-2-thioxo-thiazolidin-4-one

SMILES [?]:

Cc1ccc(cc1C)N2C(=O)C(=CC=Cc3ccco3)SC2=S

InChi [?]:

InChI=1/C18H15NO2S2/c1-12-8-9-14(11-13(12)2)19-17(20)16(23-18(19)22)7-3-5-15-6-4-10-21-15/h3-11H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,14,18,15,17,13,3,4,19,6,2,7,5,16,12,10,22,9,11,20,23,21/rA:23nCCCCCCCCNCOCCCCCCCCOSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;w12;s13;w14;s15;d16;s17;d18;s16s19;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅NO₂S₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3445
Area:	543.017
Solvation:	-2.23096
Coulombic:	-27.0986

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	341.449
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.24
LogP (Chemaxon):	4.9

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value