Chemical ID: 4619118

c1cc(c(cc1Cl)Cl)c2n[nH]c(=S)o2
Chemical ID:
4619118
Name [?]:
5-(2,4-dichlorophenyl)-3H-1,3,4-oxadiazole-2-thione
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2n[nH]c(=S)o2
InChi [?]:
InChI=1/C8H4Cl2N2OS/c9-4-1-2-5(6(10)3-4)7-11-12-8(14)13-7/h1-3H,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,9,12,7,8,10,11,14,13/rA:14nCCCCCCClClCNNCSO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;d12;s9s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4Cl2N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.63232
Area:396.727
Solvation:-1.28585
Coulombic:-22.5572
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:247.102
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.01
LogP (Chemaxon):3.83

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Descriptor Annotations

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