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Chemical ID: 3998167
Chemical ID:
3998167
Name [?]:
5-(p-tolyl)-1,3,4-oxadiazole-2-thiol
SMILES [?]:
Cc1ccc(cc1)c2nnc(o2)S
InChi [?]:
InChI=1/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,8,11,9,10,12,13/E:(2,3)(4,5)/rA:13nCCCCCCCCNNCOS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94397 |
Area: | 360.963 |
Solvation: | -1.0801 |
Coulombic: | -17.8929 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.239 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.72 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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