Chemical ID: 7514556

Cc1ccc(cc1)OCCSc2nnc(s2)C
Chemical ID:
7514556
Name [?]:
2-methyl-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,3,4-thiadiazole
SMILES [?]:
Cc1ccc(cc1)OCCSc2nnc(s2)C
InChi [?]:
InChI=1/C12H14N2OS2/c1-9-3-5-11(6-4-9)15-7-8-16-12-14-13-10(2)17-12/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,9,10,2,15,5,12,14,13,8,11,16/E:(3,4)(5,6)/rA:17nCCCCCCCOCCSCNNCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2OS2
All Atoms:31
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:9.55872
Area:472.143
Solvation:-2.24485
Coulombic:-13.4944
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.01
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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