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Chemical ID: 5854117
Chemical ID:
5854117
Name [?]:
3-[(3-methyl-2-thienyl)methyleneamino]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccsc1C=NN2C(=O)CSC2=S
InChi [?]:
InChI=1/C9H8N2OS3/c1-6-2-3-14-7(6)4-10-11-8(12)5-15-9(11)13/h2-4H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,12,2,6,10,14,8,9,11,15,5,13/rA:15nCCCCSCCNNCOCSCS/rB:s1;s2;d3;s4;d2s5;s6;w7;s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2OS3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5211 |
Area: | 390.544 |
Solvation: | -2.2425 |
Coulombic: | -15.8177 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.17 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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