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41471-32-3 | Acetaldehyde, (3-ethyl-2(3H)-benzothiazolylidene)-
CAS No: 41471-32-3 Catalog No: AG0071WW MDL No:
Product Description
Catalog Number:
AG0071WW
Chemical Name:
Acetaldehyde, (3-ethyl-2(3H)-benzothiazolylidene)-
CAS Number:
41471-32-3
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
IUPAC Name:
2-(3-ethyl-1,3-benzothiazol-2-ylidene)acetaldehyde
InChI:
InChI=1S/C11H11NOS/c1-2-12-9-5-3-4-6-10(9)14-11(12)7-8-13/h3-8H,2H2,1H3
InChI Key:
FOEYTKFBFMOKOU-UHFFFAOYSA-N
SMILES:
O=CC=c1sc2c(n1CC)cccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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