Chemical ID: 5854117

Cc1ccsc1C=NN2C(=O)CSC2=S
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

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Descriptor Annotations

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