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13353-67-8 | Benzothiazole, 2-[(oxiranylmethyl)thio]- (9CI)
CAS No: 13353-67-8 Catalog No: AG00A3PY MDL No:
Product Description
Catalog Number:
AG00A3PY
Chemical Name:
Benzothiazole, 2-[(oxiranylmethyl)thio]- (9CI)
CAS Number:
13353-67-8
IUPAC Name:
2-(oxiran-2-ylmethylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C10H9NOS2/c1-2-4-9-8(3-1)11-10(14-9)13-6-7-5-12-7/h1-4,7H,5-6H2
InChI Key:
OXLSQBAQJGFJTJ-UHFFFAOYSA-N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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