N-Succinimidyl 2-(Dodecylthiocarbonothioylthio)-2-methylpropionate
Product Information
Molecular Formula
C21H35NO4S3
Molecular Weight
461.69
Description
N-Succinimidyl 2-(Dodecylthiocarbonothioylthio)-2-methylpropionate is a pivotal component in the construction of pharmaceutical conjugates, aiming to selectively counteract and alleviate distinctive ailments. Possessing an extraordinary molecular arrangement, it establishes an enduring connection between therapeutics and targeting agents, thereby fostering accurate administration while fortifying curative potentiality.
Synonyms
2-(Dodecylthiocarbonothioylthio)-2-methylpropionic Acid N-Succinimidyl Ester
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) 2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanoate
SMILES
CCCCCCCCCCCCSC(=S)SC(C)(C)C(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C21H35NO4S3/c1-4-5-6-7-8-9-10-11-12-13-16-28-20(27)29-21(2,3)19(25)26-22-17(23)14-15-18(22)24/h4-16H2,1-3H3
InChI Key
HKWLQDYVQCZTQP-UHFFFAOYSA-N
Melting Point
101 °C
Purity
>98.0%(HPLC)(N)
Appearance
Light yellow to Brown powder to crystal
Storage
<0°C
Computed Properties
XLogP3
7.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
17
Exact Mass
461.17282212 g/mol
Monoisotopic Mass
461.17282212 g/mol
Topological Polar Surface Area
146Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
550
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
