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1313829-46-7 | 6-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol
CAS No: 1313829-46-7 Catalog No: AG00HSGA MDL No:
Product Description
Catalog Number:
AG00HSGA
Chemical Name:
6-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol
CAS Number:
1313829-46-7
IUPAC Name:
6-ethylsulfonyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C9H9NO3S2/c1-2-15(11,12)6-3-4-7-8(5-6)13-9(14)10-7/h3-5H,2H2,1H3,(H,10,14)
InChI Key:
UBGBGVIVSUPWOW-UHFFFAOYSA-N
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.295g/mol
Monoisotopic Mass:
243.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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