Home Sulfos 2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

CAS No.:
1036513-85-5
Catalog Number:
AG00HA51
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$350
- +
5g
98%
In Stock USA
United States
$1150
- +
Product Description
Catalog Number:
AG00HA51
Chemical Name:
2-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
CAS Number:
1036513-85-5
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD11118167
IUPAC Name:
2-(pyrrolidin-1-ylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C12H14N2O2S/c13-9-11-5-1-2-6-12(11)10-17(15,16)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8,10H2
InChI Key:
JCEKCAOEHWSOIG-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CS(=O)(=O)N1CCCC1
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties