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42846-38-8 | 1-Ethyl-2-methylnaphtho[1,2-d]thiazol-1-ium
CAS No: 42846-38-8 Catalog No: AG00CUBG MDL No:
Product Description
Catalog Number:
AG00CUBG
Chemical Name:
1-Ethyl-2-methylnaphtho[1,2-d]thiazol-1-ium
CAS Number:
42846-38-8
IUPAC Name:
1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium
InChI:
InChI=1S/C14H14NS/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15/h4-9H,3H2,1-2H3/q+1
InChI Key:
ATFWYVHOXDEENI-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.085g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.333g/mol
Monoisotopic Mass:
228.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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