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439085-86-6 | 5-Benzothiazolol,2-(ethylthio)-(9CI)
CAS No: 439085-86-6 Catalog No: AG00DO1G MDL No:
Product Description
Catalog Number:
AG00DO1G
Chemical Name:
5-Benzothiazolol,2-(ethylthio)-(9CI)
CAS Number:
439085-86-6
IUPAC Name:
2-ethylsulfanyl-1,3-benzothiazol-5-ol
InChI:
InChI=1S/C9H9NOS2/c1-2-12-9-10-7-5-6(11)3-4-8(7)13-9/h3-5,11H,2H2,1H3
InChI Key:
GRPTYMRBPXVEDD-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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