Chemical ID: 5046109

Cc1ccccc1c2n[nH]c(=S)o2
Chemical ID:
5046109
Name [?]:
5-(o-tolyl)-3H-1,3,4-oxadiazole-2-thione
SMILES [?]:
Cc1ccccc1c2n[nH]c(=S)o2
InChi [?]:
InChI=1/C9H8N2OS/c1-6-4-2-3-5-7(6)8-10-11-9(13)12-8/h2-5H,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,2,7,8,11,9,10,13,12/rA:13nCCCCCCCCNNCSO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s10;d11;s8s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.78316
Area:355.289
Solvation:-1.09906
Coulombic:-22.9679
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:3.2
LogP (Chemaxon):3.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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