Home Sulfos 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

CAS No.:
24310-36-9
Catalog Number:
AG006WKF
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
98%
In Stock USA
United States
$186
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Product Description
Catalog Number:
AG006WKF
Chemical Name:
1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
CAS Number:
24310-36-9
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
MDL Number:
MFCD00795994
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
InChI:
InChI=1S/C17H17NO3S/c1-13-8-10-14(11-9-13)22(20,21)18-12-4-7-17(19)15-5-2-3-6-16(15)18/h2-3,5-6,8-11H,4,7,12H2,1H3
InChI Key:
OTPIOAHUBNERHE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCCC(=O)c2c1cccc2
NSC Number:
105655
Properties
Complexity:
503  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties