Home Nitriles (1,1-dioxidotetrahydro-3-thienyl)acetonitrile

(1,1-dioxidotetrahydro-3-thienyl)acetonitrile

CAS No.:
17236-09-8
Catalog Number:
AG00J2KY
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J2KY
Chemical Name:
(1,1-dioxidotetrahydro-3-thienyl)acetonitrile
CAS Number:
17236-09-8
Molecular Formula:
C6H9NO2S
Molecular Weight:
159.2062
MDL Number:
MFCD11181329
IUPAC Name:
2-(1,1-dioxothiolan-3-yl)acetonitrile
InChI:
InChI=1S/C6H9NO2S/c7-3-1-6-2-4-10(8,9)5-6/h6H,1-2,4-5H2
InChI Key:
XDMQEOQJTQCQGO-UHFFFAOYSA-N
SMILES:
N#CCC1CCS(=O)(=O)C1
Properties
Complexity:
253  
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:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties