Home Other Building Blocks (3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

(3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide

CAS No.:
107869-45-4
Catalog Number:
AG003BC0
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$47
- +
5g
95%
In Stock USA
United States
$103
- +
10g
95%
In Stock USA
United States
$144
- +
25g
95%
In Stock USA
United States
$269
- +
Product Description
Catalog Number:
AG003BC0
Chemical Name:
(3aR,6S)-8,8-dimethyl-4,5,6,7-tetrahydro-3h-3a,6-methanobenzo[c]isothiazole 2,2-dioxide
CAS Number:
107869-45-4
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD00064576
IUPAC Name:
(1R,7S)-10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene 3,3-dioxide
InChI:
InChI=1S/C10H15NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7H,3-6H2,1-2H3/t7-,10-/m0/s1
InChI Key:
ZAHOEBNYVSWBBW-XVKPBYJWSA-N
SMILES:
O=S1(=O)N=C2[C@@]3(C1)CC[C@@H](C2)C3(C)C
EC Number:
621-464-6
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties