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Chemical ID: 4619118
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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