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Chemical ID: 6521784
Chemical ID:
6521784
Name [?]:
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]-1H-benzoimidazole
SMILES [?]:
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
InChi [?]:
InChI=1/C11H10N4S4/c1-16-10-14-11(19-15-10)18-6-17-9-12-7-4-2-3-5-8(7)13-9/h2-5H,6H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,9,13,18,11,3,5,12,19,4,7,2,10,8,6/E:(2,3)(4,5)(7,8)(12,13)/rA:19nCSCNCSNSCSCNCCCCCCN/rB:s1;s2;s3;d4;s5;d3s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;d11s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N4S4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8425 |
Area: | 497.644 |
Solvation: | -1.5986 |
Coulombic: | -30.4669 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.488 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.95 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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