5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid - ≥97% , CAS No.101667-97-4

Name: 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid - ≥97% , CAS No.101667-97-4
Brand: Aladdin Scientific
SKU: M340581
Availability: InStock

CAS: 101667-97-4 Cat. No.: M340581 Molecular Weight: 210.21 EC Number: 675-249-7

COA

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5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid - ≥97% CAS No(101667-97-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

CCG-125304 | 5-methyl-4-oxo-3,4-dihydro-thieno-[2,3-d]pyrimidine-6-carboxylic acid | 5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid | 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid | 5-methyl-4-oxo-3H-thieno[2,3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Store at 2-8°C Ships Wet ice 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

Synonyms

CCG-125304 | 5-methyl-4-oxo-3, 4-dihydro-thieno-[2, 3-d]pyrimidine-6-carboxylic acid | 5-Methyl-4-oxo-3, 4-dihydro-thieno[2, 3-d]pyrimidine-6-carboxylic acid | 5-methyl-4-oxo-3, 4-dihydrothieno[2, 3-d]pyrimidine-6-carboxylic acid | 5-methyl-4-oxo-3H-thieno[2, 3-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Canonical Smiles	CC1=C(SC2=C1C(=O)NC=N2)C(=O)O
IUPAC Name	5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
InChIKey	CYNGLBSDKJIAOD-UHFFFAOYSA-N
INCHI	1S/C8H6N2O3S/c1-3-4-6(11)9-2-10-7(4)14-5(3)8(12)13/h2H,1H3,(H,12,13)(H,9,10,11)
Isomeric SMILES	CC1=C(SC2=C1C(=O)NC=N2)C(=O)O
Molecular Weight	210.21
Reaxy-Rn	4434847
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4434847&ln=

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrimidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrimidines
Alternative Parents	Thiophene carboxylic acids Pyrimidones Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Thienopyrimidine - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Pyrimidone - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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

3D Structure

Associated Targets(Human)

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
G2515323	Certificate of Analysis	Jan 21, 2025	M340581
G2515324	Certificate of Analysis	Jan 21, 2025	M340581
G2515325	Certificate of Analysis	Jan 21, 2025	M340581
G2515383	Certificate of Analysis	Jan 21, 2025	M340581
G2515384	Certificate of Analysis	Jan 21, 2025	M340581
G2515385	Certificate of Analysis	Jan 21, 2025	M340581

Molecular Weight	210.210 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	210.01 Da
Monoisotopic Mass	210.01 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	318.000
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