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N-(3-(2-pyridyldithio)propionyl)stearylamine

HCID 124792
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
92279-65-7
Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCSSc1ccccn1
InChIKey
ZQMCQXTUQFHAJV-UHFFFAOYSA-N
Molecular formula
C26H46N2OS2
Average molar mass
466.8 g/mol
Monoisotopic mass
466.30515644

Names & identifiers

Preferred name
N-(3-(2-pyridyldithio)propionyl)stearylamine
IUPAC
N-octadecyl-3-(pyridin-2-yldisulfanyl)propanamide
English name
N-(3-(2-pyridyldithio)propionyl)stearylamine
Molecular weight
0

Names & synonyms

Pdp-SAN-(3-(2-Pyridyldithio)propionyl)stearylamine92279-65-7DTXSID90238951Propanamide, N-octadecyl-3-(2-pyridinyldithio)-, (S)-RefChem:161868DTXCID40161442N-octadecyl-3-(pyridin-2-yldisulfanyl)propanamideN-Octadecyl-3-[(pyridin-2-yl)disulfanyl]propanamide

Database identifiers

CAS
92279-65-7
PubChem CID
124792
DTXSID
DTXSID90238951
Nikkaji
J326.051H

Properties

Computed structural properties

XLogP
9.8
Topological polar surface area
92.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
22
Heavy atoms
31
Formal charge
0
Complexity
396

Related reactions

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Compound notes

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