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

CAS: 88-13-1 Cat. No.: T124563 Molecular Weight: 128.15 Beilstein Registry Number: 1994 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature, Desiccated

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180205
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CSC=C1C(=O)O
• WGK Germany: 3
• RTECS: XM8330300
• PubChem CID: 6918
• Molecular Weight: 128.15
• Beilstein: 1994
• Reaxy-Rn: 1994

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water at 20°C 4.3 g/L.
• Melt Point(°C): 136.0-141.0°C
• Molecular Weight: 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

References

1. Jiankai Zhang, Huangzhong Yu.  (2021)  Reduced energy loss enabled by thiophene-based interlayers for high performance and stable perovskite solar cells.  Journal of Materials Chemistry A,  9  (7): (4138-4149).  [PMID:] [10.1039/D0TA10270A]

2. Wendi Wang, Jianxin Wang, Danfeng He, Xin Huang, Yutong Yang, Xi Chen, Lijie Zhao, Hong Pan, Jun Zhang.  (2025)  Thiophene bridged Ni-V units in bimetallic hydroxides electrodes to improve the cycling stability of supercapacitor.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.184957]