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2- (Methylsulphonyl) pyrimidine

CAT: 0024-sc-256028Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-256028Size:1 g
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CAS Number
14161-09-2

Chemical Information

2-(Methylsulphonyl)pyrimidine
CAS Number14161-09-2
PubChem CID13289225
IUPAC Name2-methylsulfonylpyrimidine
Molecular FormulaC5H6N2O2S
Molecular Weight158.18
XLogP-0.2
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity188
SMILES
CS(=O)(=O)C1=NC=CC=N1
InChI
InChI=1S/C5H6N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-4H,1H3
InChIKey
OIGXNHYFKZCTCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylsulphonyl)pyrimidine
CAS: 14161-09-2
CID: 13289225
Formula: C5H6N2O2S
MW: 158.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight158.18
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass158.01499861
Monoisotopic Mass158.01499861
Topological Polar Surface Area68.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes