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887407-52-5

887407-52-5 | N-Succinimidyloxycarbonylpentadecyl Methanethiosulfonate

CAS No: 887407-52-5 Catalog No: AG004E1J MDL No:

Product Description

Catalog Number:
AG004E1J
Chemical Name:
N-Succinimidyloxycarbonylpentadecyl Methanethiosulfonate
CAS Number:
887407-52-5
Molecular Formula:
C21H37NO6S2
Molecular Weight:
463.6516
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 16-methylsulfonylsulfanylhexadecanoate
InChI:
InChI=1S/C21H37NO6S2/c1-30(26,27)29-18-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)28-22-19(23)16-17-20(22)24/h2-18H2,1H3
InChI Key:
IQYKMBDQDWEUND-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCCCCCCCCCCCCCSS(=O)(=O)C

Properties

Complexity:
614  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.206g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.648g/mol
Monoisotopic Mass:
463.206g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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