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(S)-Methyl 2-amino-3-(tritylthio)propanoate - ≥95%, high purity , CAS No.115545-85-2
Basic Description
Specifications & Purity
≥95%
Storage Temp
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Triphenyl compounds
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triphenyl compounds
Alternative Parents
Alpha amino acid esters Cysteine and derivatives Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Triphenyl compound - Alpha-amino acid ester - Cysteine or derivatives - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Organosulfur compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
methyl (2S)-2-amino-3-tritylsulfanylpropanoate
INCHI
InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m1/s1
InChIKey
DXUZZMIANHJYIU-OAQYLSRUSA-N
Smiles
COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
Isomeric SMILES
COC(=O)[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
PubChem CID
13877013
Molecular Weight
377.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
377.500 g/mol
XLogP3
4.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
377.145 Da
Monoisotopic Mass
377.145 Da
Topological Polar Surface Area
77.600 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
406.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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