Home Sulfos N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide

N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide

CAS No.:
1333953-58-4
Catalog Number:
AG01ELFD
Molecular Formula:
C9H12BrNO2S2
Molecular Weight:
310.2311
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Product Description
Catalog Number:
AG01ELFD
Chemical Name:
N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide
CAS Number:
1333953-58-4
Molecular Formula:
C9H12BrNO2S2
Molecular Weight:
310.2311
MDL Number:
MFCD31666966
IUPAC Name:
N-[2-(3-bromophenyl)sulfanylethyl]methanesulfonamide
InChI:
InChI=1S/C9H12BrNO2S2/c1-15(12,13)11-5-6-14-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3
InChI Key:
BOKUQIUNVXEZHH-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SCCNS(=O)(=O)C
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.949g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.224g/mol
Monoisotopic Mass:
308.949g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties