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736868-58-9 | Benzothiazole, 2-(3-ethyloxiranyl)-2,3-dihydro-2-methyl- (9CI)
CAS No: 736868-58-9 Catalog No: AG00FJUC MDL No:
Product Description
Catalog Number:
AG00FJUC
Chemical Name:
Benzothiazole, 2-(3-ethyloxiranyl)-2,3-dihydro-2-methyl- (9CI)
CAS Number:
736868-58-9
IUPAC Name:
2-(3-ethyloxiran-2-yl)-2-methyl-3H-1,3-benzothiazole
InChI:
InChI=1S/C12H15NOS/c1-3-9-11(14-9)12(2)13-8-6-4-5-7-10(8)15-12/h4-7,9,11,13H,3H2,1-2H3
InChI Key:
DWJHEKKLHXKXTG-UHFFFAOYSA-N
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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