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Home Other Building Blocks 4-Hydroxy-2H-thiochromen-2-one

4-Hydroxy-2H-thiochromen-2-one

CAS No.:
16854-67-4
Catalog Number:
AG001Y4R
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$619
- +
Product Description
Catalog Number:
AG001Y4R
Chemical Name:
4-Hydroxy-2H-thiochromen-2-one
CAS Number:
16854-67-4
Molecular Formula:
C9H6O2S
Molecular Weight:
178.2077
MDL Number:
MFCD00463527
IUPAC Name:
2-hydroxythiochromen-4-one
InChI:
InChI=1S/C9H6O2S/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,11H
InChI Key:
OSIDMAJZERBPOJ-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c(s1)cccc2
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.205g/mol
Monoisotopic Mass:
178.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties