2-Mercaptophenylacetic acid , CAS No.39161-85-8

CAS: 39161-85-8 Cat. No.: M1357596 Fórmula: C8H8O2S Peso molecular: 168.21 Número CE: 692-827-4 PubChem CID: 5127525
Disponível para encomenda
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
100mg
M1357596-100mg
Sob encomenda · 8–12 semanas
395,60€
250mg
M1357596-250mg
Sob encomenda · 8–12 semanas
634,23€
1g
M1357596-1g
Sob encomenda · 8–12 semanas
1230,37€
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Nomes e identificadores
Sorrisos canónicosC1=CC=C(C(=C1)CC(=O)O)S
IUPAC Name2-(2-sulfanylphenyl)acetic acid
InChIKeyQUCMZSJETXEAMC-UHFFFAOYSA-N
INCHI1S/C8H8O2S/c9-8(10)5-6-3-1-2-4-7(6)11/h1-4,11H,5H2,(H,9,10)
SMILES isoméricas C1=CC=C(C(=C1)CC(=O)O)S
PubChem CID 5127525
Peso molecular 168.21

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseThiophenols
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiophenols
Alternative Parents Benzene and substituted derivatives  Monocarboxylic acids and derivatives  Carboxylic acids  Thiols  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Thiophenol - Monocyclic benzene moiety - Arylthiol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular168.210 g/mol
XLogP31.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass168.025 Da
Monoisotopic Mass168.025 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity147.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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