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Chemical ID: 5224433
Chemical ID:
5224433
Name [?]:
3,5-bis(3-thienyl)-1H-1,2,4-triazole
SMILES [?]:
c1cscc1c2[nH]nc(n2)c3ccsc3
InChi [?]:
InChI=1/C10H7N3S2/c1-3-14-5-7(1)9-11-10(13-12-9)8-2-4-15-6-8/h1-6H,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,4,15,5,11,6,9,10,7,8,3,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:15nCCSCCCNNCNCCCSC/rB:d1;s2;s3;s1d4;s5;s6;s7;d8;d6s9;s9;s11;d12;s13;d11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3S2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.53358 |
Area: | 404.185 |
Solvation: | -1.57104 |
Coulombic: | -18.4798 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.86 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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