Chemical ID: 3998167

Cc1ccc(cc1)c2nnc(o2)S
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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