Chemical ID: 5116928

c1cc(cc(c1)O)c2nnc(o2)S
Chemical ID:
5116928
Name [?]:
3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILES [?]:
c1cc(cc(c1)O)c2nnc(o2)S
InChi [?]:
InChI=1/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,8,11,9,10,7,12,13/rA:13nCCCCCCOCNNCOS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.90804
Area:357.356
Solvation:-2.02586
Coulombic:-32.8594
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.212
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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