Chemical ID: 3992866

c1ccc(c(c1)c2nnc(o2)S)Cl
Chemical ID:
3992866
Name [?]:
5-(2-chlorophenyl)-1,3,4-oxadiazole-2-thiol
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)S)Cl
InChi [?]:
InChI=1/C8H5ClN2OS/c9-6-4-2-1-3-5(6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,13,8,9,11,12/rA:13nCCCCCCCNNCOSCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5ClN2OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.83497
Area:362.096
Solvation:-1.21741
Coulombic:-17.9374
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.657
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.9
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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