Chemical ID: 4978152

CCOc1ccc(cc1)c2csc(n2)C=O
Chemical ID:
4978152
Name [?]:
4-(4-ethoxyphenyl)thiazole-2-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)C=O
InChi [?]:
InChI=1/C12H11NO2S/c1-2-15-10-5-3-9(4-6-10)11-8-16-12(7-14)13-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,15,11,7,4,10,13,14,16,3,12/E:(3,4)(5,6)/rA:16nCCOCCCCCCCCSCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.0248
Area:421.975
Solvation:-3.52458
Coulombic:-21.2288
Bond Count [?]
All:17
Single:11
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.287
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):3.12

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Descriptor Annotations

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