Home Nitriles Tetrahydro-2h-thiopyran-4-carbonitrile 1,1-dioxide

Tetrahydro-2h-thiopyran-4-carbonitrile 1,1-dioxide

CAS No.:
912578-71-3
Catalog Number:
AG00GVVH
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$448
- +
5g
95%
In Stock USA
United States
$1462
- +
Product Description
Catalog Number:
AG00GVVH
Chemical Name:
Tetrahydro-2h-thiopyran-4-carbonitrile 1,1-dioxide
CAS Number:
912578-71-3
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD13187856
IUPAC Name:
1,1-dioxothiane-4-carbonitrile
InChI:
InChI=1S/C6H9NO2S/c7-5-6-1-3-10(8,9)4-2-6/h6H,1-4H2
InChI Key:
ANLYUZZMZKUSMH-UHFFFAOYSA-N
SMILES:
N#CC1CCS(=O)(=O)CC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.035g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.203g/mol
Monoisotopic Mass:
159.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties