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46272-68-8 | 2-(Ethylthio)-3-ethylbenzothiazole-3-ium
CAS No: 46272-68-8 Catalog No: AG00DU0H MDL No:
Product Description
Catalog Number:
AG00DU0H
Chemical Name:
2-(Ethylthio)-3-ethylbenzothiazole-3-ium
CAS Number:
46272-68-8
IUPAC Name:
3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C11H14NS2/c1-3-12-9-7-5-6-8-10(9)14-11(12)13-4-2/h5-8H,3-4H2,1-2H3/q+1
InChI Key:
PTPAZLAGIQETCL-UHFFFAOYSA-N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.057g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.36g/mol
Monoisotopic Mass:
224.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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