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68898-25-9 | 2-(Benzothiazole-2-ylthio)cyclopentanone
CAS No: 68898-25-9 Catalog No: AG00FJYV MDL No:
Product Description
Catalog Number:
AG00FJYV
Chemical Name:
2-(Benzothiazole-2-ylthio)cyclopentanone
CAS Number:
68898-25-9
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)cyclopentan-1-one
InChI:
InChI=1S/C12H11NOS2/c14-9-5-3-7-11(9)16-12-13-8-4-1-2-6-10(8)15-12/h1-2,4,6,11H,3,5,7H2
InChI Key:
UIYBHHYWVMULTM-UHFFFAOYSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.346g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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