2-Thiouracil - analytical standard , CAS No.141-90-2

CAS: 141-90-2 Cat. No.: T106705 Molecular Weight: 128.15 Beilstein Registry Number: 112227 EC Number: 205-508-8 PubChem CID: 1269845
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
2-Mercapto-4-pyrimidone | EINECS 205-508-8 | Tiouracyl | Tox21_111418_1 | 2-mercaptopyrimidine-4-one | BSPBio_002617 | 2-Mercapto-4(1H)-pyrimidinone | 2-thiouracil | Tox21_202418 | 59X161SCYL | HMS500F06 | Uracil, 2-thio- (VAN) | 2-Mercapto-4-hydroxypyrim
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
T106705-250mg
3

$64.90

$76.90
Save $12.00 (15.60%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-Mercapto-4-pyrimidone | EINECS 205-508-8 | Tiouracyl | Tox21_111418_1 | 2-mercaptopyrimidine-4-one | BSPBio_002617 | 2-Mercapto-4(1H)-pyrimidinone | 2-thiouracil | Tox21_202418 | 59X161SCYL | HMS500F06 | Uracil, 2-thio- (VAN) | 2-Mercapto-4-hydroxypyrim
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC1=CNC(=S)NC1=O
IUPAC Name2-sulfanylidene-1H-pyrimidin-4-one
InChIKeyZEMGGZBWXRYJHK-UHFFFAOYSA-N
INCHI1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
Isomeric SMILES C1=CNC(=S)NC1=O
WGK Germany 3
RTECS YR1575000
PubChem CID 1269845
Molecular Weight 128.15
Beilstein 112227
Reaxy-Rn 112227

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

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrimidones
Alternative Parents Pyrimidinethiones  2-Thiopyrimidines  Hydropyrimidines  Vinylogous amides  Heteroaromatic compounds  Thioureas  Lactams  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mmp2 Matrix metalloproteinase-2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
J774.A1 (2436 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S91 (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus anthracis (2936 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
H2429332Certificate of AnalysisJun 08, 2026 T106705
H1320044Certificate of AnalysisJan 10, 2023 T106705
Chemical and Physical Properties
Melt Point(°C)>300°C
Molecular Weight128.150 g/mol
XLogP3-0.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass128.004 Da
Monoisotopic Mass128.004 Da
Topological Polar Surface Area73.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity163.000
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
Documents & Articles
Citations of This Product
References
1. Kaijie Xu, Kangping Cui, Minshu Cui, Xueyan Liu, Xing Chen.  (2022)  Carbonyl heterocycle modified mesoporous carbon nitride in photocatalytic peroxydisulfate activation for enhanced ciprofloxacin removal: Performance and mechanism.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36403448] [10.1016/j.jhazmat.2022.130412]
2. Feifei Xu, Jianghong Zhao, Jianlong Wang, Taotao Guan, Kaixi Li.  (2021)  Strong coordination ability of sulfur with cobalt for facilitating scale-up synthesis of Co9S8 encapsulated S, N co-doped carbon as a trifunctional electrocatalyst for oxygen reduction reaction, oxygen and hydrogen evolution reaction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:34794809] [10.1016/j.jcis.2021.10.182]
3. Xiaolei Zhao, Yu He, Yanan Wang, Shuo Wang, Junping Wang.  (2019)  Hollow molecularly imprinted polymer based quartz crystal microbalance sensor for rapid detection of methimazole in food samples.  FOOD CHEMISTRY,      [PMID:31771917] [10.1016/j.foodchem.2019.125787]
Solution Calculators
Reviews

Customer Reviews

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Analytical standard grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.