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Home Other Building Blocks 9,10-Dihydro-4h-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

9,10-Dihydro-4h-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one

CAS No.:
1622-55-5
Catalog Number:
AG001SW2
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$300
- +
1g
1 week
United States
$563
- +
Product Description
Catalog Number:
AG001SW2
Chemical Name:
9,10-Dihydro-4h-benzo[4,5]cyclohepta[1,2-b]thiophen-4-one
CAS Number:
1622-55-5
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
MDL Number:
MFCD00808048
IUPAC Name:
6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-one
InChI:
InChI=1S/C13H10OS/c14-13-10-4-2-1-3-9(10)5-6-12-11(13)7-8-15-12/h1-4,7-8H,5-6H2
InChI Key:
JAGBUENUSNSSFW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2CCc2c1ccs2
EC Number:
605-282-4
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.282g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties