3-Thenoic Acid - ≥99% , CAS No.88-13-1

CAS: 88-13-1 Cat. No.: T124563 Fórmula: C₅H₄O₂S Peso molecular: 128.15 Beilstein Registry Number: 1994 Número EC: 201-802-5 PubChem CID: 6918

GRADE & PURITY ≥99%

Synonyms

3-THIOPHENE CARBOXYLIC ACID | 6V3012Q6BE | UNII-6V3012Q6BE | beta-Thiophenic acid | thiophene-3-carboxylicacid | Thiophene-3-carboxylic acid | YNVOMSDITJMNET-UHFFFAOYSA- | thiophen-3-carboxylic acid | 3-THENOIC ACID [MI] | Thiophene-3-formic acid | 3-Then

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Descripción general

Mechanism of photopolymerization of 3-thiophenecarboxylic acid catalyzed by potassium dichromate has been reported。

Specifications

Sinónimos

3-THIOPHENE CARBOXYLIC ACID | 6V3012Q6BE | UNII-6V3012Q6BE | beta-Thiophenic acid | thiophene-3-carboxylicacid | Thiophene-3-carboxylic acid | YNVOMSDITJMNET-UHFFFAOYSA- | thiophen-3-carboxylic acid | 3-THENOIC ACID [MI] | Thiophene-3-formic acid | 3-Then

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Desiccated

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180205

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180205

Sonrisas canónicas

C1=CSC=C1C(=O)O

IUPAC Name

thiophene-3-carboxylic acid

InChIKey

YNVOMSDITJMNET-UHFFFAOYSA-N

INCHI

1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

Isómeros SMILES

C1=CSC=C1C(=O)O

WGK Alemania

3

RTECS

XM8330300

PubChem CID

6918

Peso molecular

128.15

Beilstein

1994

Reaxy-Rn

1994

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FYN Tclin Tyrosine-protein kinase FYN (5308 Activities)

Discover Target: FYN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SRR Tbio Serine racemase (249 Activities)

Discover Target: SRR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water at 20°C 4.3 g/L.
• Punto de fusión (°C): 136.0-141.0°C
• Peso molecular: 128.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 127.993 Da
• Monoisotopic Mass: 127.993 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 88-13-1, the molecular formula is C5H4O2S, and the molecular weight is 128.15 g/mol. InChIKey YNVOMSDITJMNET-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.