Home Nitriles Tetrahydrothiophene-3-carbonitrile 1,1-dioxide

Tetrahydrothiophene-3-carbonitrile 1,1-dioxide

CAS No.:
17389-09-2
Catalog Number:
AG00J26T
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J26T
Chemical Name:
Tetrahydrothiophene-3-carbonitrile 1,1-dioxide
CAS Number:
17389-09-2
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
MDL Number:
MFCD06809749
IUPAC Name:
1,1-dioxothiolane-3-carbonitrile
InChI:
InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2
InChI Key:
CHNZCZASRHSRAC-UHFFFAOYSA-N
SMILES:
N#CC1CCS(=O)(=O)C1
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties