Home Sulfos (1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanethiosulfonate

(1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanethiosulfonate

CAS No.:
392718-69-3
Catalog Number:
AG0075CA
Molecular Formula:
C12H21NO4S2
Molecular Weight:
307.4294
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0075CA
Chemical Name:
(1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanethiosulfonate
CAS Number:
392718-69-3
Molecular Formula:
C12H21NO4S2
Molecular Weight:
307.4294
MDL Number:
MFCD07367593
IUPAC Name:
[2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrol-1-yl] acetate
InChI:
InChI=1S/C12H21NO4S2/c1-9(14)17-13-11(2,3)7-10(12(13,4)5)8-18-19(6,15)16/h7H,8H2,1-6H3
InChI Key:
CZMOVGVIRQJPNP-UHFFFAOYSA-N
SMILES:
CC(=O)ON1C(C)(C)C=C(C1(C)C)CSS(=O)(=O)C
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.423g/mol
Monoisotopic Mass:
307.091g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties