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Chemical ID: 5852060
Chemical ID:
5852060
Name [?]:
5-(3H-benzothiophen-2-ylidene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)CC(=C3C(=O)NC(=S)S3)S2
InChi [?]:
InChI=1/C11H7NOS3/c13-10-9(16-11(14)12-10)8-5-6-3-1-2-4-7(6)15-8/h1-4H,5H2,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,9,10,13,12,11,14,16,15/rA:16nCCCCCCCCCCONCSSS/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s9;d10;s10;s12;d13;s9s13;s4s8;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7NOS3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.373 |
Area: | 424.309 |
Solvation: | -1.23473 |
Coulombic: | -24.0786 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 265.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.63 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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