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Chemical ID: 5779782
Chemical ID:
5779782
Name [?]:
4-(4-chlorophenyl)-5-ethyl-3H-thiazol-2-imine
SMILES [?]:
CCc1c([nH]c(=N)s1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H11ClN2S/c1-2-9-10(14-11(13)15-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,14,11,13,9,12,3,4,6,15,7,5,8/E:(3,4)(5,6)/rA:15nCCCCNCNSCCCCCCCl/rB:s1;s2;d3;s4;s5;w6;s3s6;s4;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11ClN2S |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00574 |
Area: | 411.043 |
Solvation: | -1.27033 |
Coulombic: | -25.6396 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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