Home Sulfos 2-(Pyren-1-ylaminocarbonyl)ethyl Methanethiosulfonate

2-(Pyren-1-ylaminocarbonyl)ethyl Methanethiosulfonate

CAS No.:
384342-64-7
Catalog Number:
AG00C908
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C908
Chemical Name:
2-(Pyren-1-ylaminocarbonyl)ethyl Methanethiosulfonate
CAS Number:
384342-64-7
MDL Number:
MFCD01320456
IUPAC Name:
3-methylsulfonothioyloxy-N-pyren-1-ylpropanamide
InChI:
InChI=1S/C20H17NO3S2/c1-26(23,25)24-12-11-18(22)21-17-10-8-15-6-5-13-3-2-4-14-7-9-16(17)20(15)19(13)14/h2-10H,11-12H2,1H3,(H,21,22)
InChI Key:
CAVHFLXHVKCPFM-UHFFFAOYSA-N
Properties
Complexity:
645  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.065g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
383.48g/mol
Monoisotopic Mass:
383.065g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties