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96852-83-4 | 2-(phenylsulfanyl)ethane-1-sulfonamide
CAS No: 96852-83-4 Catalog No: AG019S6G MDL No:MFCD20501978
Product Description
Catalog Number:
AG019S6G
Chemical Name:
2-(phenylsulfanyl)ethane-1-sulfonamide
CAS Number:
96852-83-4
Molecular Formula:
C8H11NO2S2
Molecular Weight:
217.3084
MDL Number:
MFCD20501978
IUPAC Name:
2-phenylsulfanylethanesulfonamide
InChI:
InChI=1S/C8H11NO2S2/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)
InChI Key:
PDEIIVCUDPIVHJ-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)CCSc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.301g/mol
Monoisotopic Mass:
217.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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