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(E)-Ethyl 3-(2-amino-5-(benzylthio)phenyl)acrylate - ≥97% , CAS No.1641578-95-1

(E)-Ethyl 3-(2-amino-5-(benzylthio)phenyl)acrylate - ≥97% , CAS No.1641578-95-1

Name: (E)-Ethyl 3-(2-amino-5-(benzylthio)phenyl)acrylate - ≥97% , CAS No.1641578-95-1
Brand: Aladdin Scientific
SKU: E954908
Availability: InStock

CAS: 1641578-95-1 Cat. No.: E954908 Molecular Weight: 313.4 PubChem CID: 117740420

COA

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(E)-Ethyl 3-(2-amino-5-(benzylthio)phenyl)acrylate - ≥97% CAS No(1641578-95-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

Canonical Smiles	CCOC(=O)C=CC1=C(C=CC(=C1)SCC2=CC=CC=C2)N
IUPAC Name	ethyl (E)-3-(2-amino-5-benzylsulfanylphenyl)prop-2-enoate
InChIKey	XHNDRKFFPZJQQJ-DHZHZOJOSA-N
INCHI	1S/C18H19NO2S/c1-2-21-18(20)11-8-15-12-16(9-10-17(15)19)22-13-14-6-4-3-5-7-14/h3-12H,2,13,19H2,1H3/b11-8+
Isomeric SMILES	CCOC(=O)/C=C/C1=C(C=CC(=C1)SCC2=CC=CC=C2)N
PubChem CID	117740420
Molecular Weight	313.4

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	313.400 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	313.114 Da
Monoisotopic Mass	313.114 Da
Topological Polar Surface Area	77.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	366.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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