Chemical ID: 6142733

c1ccc(c(c1)c2ccc(o2)C=C3C(=S)NC(=O)S3)Cl
Chemical ID:
6142733
Name [?]:
5-[[5-(2-chlorophenyl)-2-furyl]methylene]-4-thioxo-thiazolidin-2-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=C3C(=S)NC(=O)S3)Cl
InChi [?]:
InChI=1/C14H8ClNO2S2/c15-10-4-2-1-3-9(10)11-6-5-8(18-11)7-12-13(19)16-14(17)20-12/h1-7H,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,8,12,10,5,4,7,13,14,17,20,16,18,11,15,19/rA:20nCCCCCCCCCCOCCCSNCOSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;d17;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8ClNO2S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.3594
Area:475.189
Solvation:-2.52034
Coulombic:-31.3587
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:321.804
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.96
LogP (Chemaxon):3.48

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