Home Sulfos 2-(Methylsulfonyl)pyrimidine-5-carbonitrile

2-(Methylsulfonyl)pyrimidine-5-carbonitrile

CAS No.:
38275-50-2
Catalog Number:
AG00CLLV
Molecular Formula:
C6H5N3O2S
Molecular Weight:
183.1878
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95+%
1 week
United States
$95
- +
250mg
95+%
1 week
United States
$162
- +
Product Description
Catalog Number:
AG00CLLV
Chemical Name:
2-(Methylsulfonyl)pyrimidine-5-carbonitrile
CAS Number:
38275-50-2
Molecular Formula:
C6H5N3O2S
Molecular Weight:
183.1878
MDL Number:
MFCD27923154
IUPAC Name:
2-methylsulfonylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C6H5N3O2S/c1-12(10,11)6-8-3-5(2-7)4-9-6/h3-4H,1H3
InChI Key:
SAZRYISVTJYEBH-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1)S(=O)(=O)C
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.185g/mol
Monoisotopic Mass:
183.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties