Chemical ID: 6521784

CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
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

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Descriptor Annotations

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