Chemical ID: 6176390

CCOc1ccc(cc1)c2c(sc(=[NH2+])[nH]2)C
Chemical ID:
6176390
Name [?]:
[4-(4-ethoxyphenyl)-5-methyl-3H-thiazol-2-ylidene]ammonium
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(=[NH2+])[nH]2)C
InChi [?]:
InChI=1/C12H14N2OS/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)/p+1
InChi Info:
AuxInfo=1/1/N:1,16,2,6,8,5,9,11,7,4,10,13,14,15,3,12/E:(4,5)(6,7)/rA:16nCCOCCCCCCCCSCN+NC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;d13;s10s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N2OS+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-30.332
Area:420.128
Solvation:-40.8352
Coulombic:-18.9775
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.326
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.56
LogP (Chemaxon):2.61

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Descriptor Annotations

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