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(R)-Benzyl (4-Chloro-3-Oxo-1-(Phenylthio)Butan-2-Yl)Carbamate - ≥98%, high purity , CAS No.159878-01-0

COA

Grade & Purity:

≥98%

Cas Number: 159878-01-0
PubChem CID: 10808734

In stock

Item Number

B725074

Grouped product items
SKU	Size	Availability	Price	Qty
B725074-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$390.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Thiophenol ethers Alkylarylthioethers Carbamate esters Alpha-chloroketones Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Aryl thioether - Thiophenol ether - Alkylarylthioether - Alpha-haloketone - Alpha-chloroketone - Carbamic acid ester - Ketone - Thioether - Sulfenyl compound - Organic oxide - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	benzyl N-[(2R)-4-chloro-3-oxo-1-phenylsulfanylbutan-2-yl]carbamate
INCHI	InChI=1S/C18H18ClNO3S/c19-11-17(21)16(13-24-15-9-5-2-6-10-15)20-18(22)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChIKey	GHOXYLYITXKSDS-INIZCTEOSA-N
Smiles	C1=CC=C(C=C1)COC(=O)NC(CSC2=CC=CC=C2)C(=O)CCl
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)N[C@@H](CSC2=CC=CC=C2)C(=O)CCl
PubChem CID	10808734

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	363.900 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	363.07 Da
Monoisotopic Mass	363.07 Da
Topological Polar Surface Area	80.700 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	396.000
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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