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Home Other Building Blocks Dibenzo[b,e]thiepin-11(6h)-one

Dibenzo[b,e]thiepin-11(6h)-one

CAS No.:
1531-77-7
Catalog Number:
AG0034P8
Molecular Formula:
C14H10OS
Molecular Weight:
226.2936
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week
United States
$84
- +
25g
>98.0%(GC)
1 week
United States
$174
- +
Product Description
Catalog Number:
AG0034P8
Chemical Name:
Dibenzo[b,e]thiepin-11(6h)-one
CAS Number:
1531-77-7
Molecular Formula:
C14H10OS
Molecular Weight:
226.2936
MDL Number:
MFCD02093738
IUPAC Name:
6H-benzo[c][1]benzothiepin-11-one
InChI:
InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
InChI Key:
JGJDEWXZEIHBNW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2SCc2c1cccc2
EC Number:
216-241-1
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.293g/mol
Monoisotopic Mass:
226.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Dibenzo[b,e]thiepin-11(6H)-one. Acta crystallographica. Section E, Structure reports online 20100201
11-[3-(Dimethyl-amino)prop-yl]-6,11-dihydro-dibenzo[b,e]thiepin-11-ol. Acta crystallographica. Section E, Structure reports online 20100101
Properties