Pyrazine-2-thiocarboxamide - ≥97% , CAS No.4604-72-2

CAS: 4604-72-2 Cat. No.: P170458 Molecular Weight: 139.18 EC Number: 662-901-0 PubChem CID: 2797467
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
BRN 0002638 | JI046KHA6S | NSC18377 | NSC-18377 | BB 0216583 | F2147-0547 | pyrazine carbothioamide | Pyrazinecarbothioamide | 2-Pyrazinethiocarboxamide | MFCD00173663 | pyrazine-2-carbothioamide | Thiopyrazinamide | 5-25-04-00191 (Beilstein Handbook Refe
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
P170458-250mg
2

$26.90

$40.90
Save $14.00 (34.23%)
1g
P170458-1g
2

$59.90

$89.90
Save $30.00 (33.37%)
5g
P170458-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$180.90

$271.90
Save $91.00 (33.47%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BRN 0002638 | JI046KHA6S | NSC18377 | NSC-18377 | BB 0216583 | F2147-0547 | pyrazine carbothioamide | Pyrazinecarbothioamide | 2-Pyrazinethiocarboxamide | MFCD00173663 | pyrazine-2-carbothioamide | Thiopyrazinamide | 5-25-04-00191 (Beilstein Handbook Refe
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488194029
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488194029
Canonical SmilesC1=CN=C(C=N1)C(=S)N
IUPAC Namepyrazine-2-carbothioamide
InChIKeyLIURPUMROGYCLW-UHFFFAOYSA-N
INCHI1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
Isomeric SMILES C1=CN=C(C=N1)C(=S)N
WGK Germany 1
RTECS uq2360000
PubChem CID 2797467
Molecular Weight 139.18

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
SubclassPyrazines
Intermediate Tree Nodes Not available
Direct ParentPyrazines
Alternative Parents Thioamides  Heteroaromatic compounds  Thiocarboxylic acid amides  Azacyclic compounds  Thiocarbonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrazine - Heteroaromatic compound - Thioamide - Azacycle - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Mycobacterium tuberculosis variant bovis (1746 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.

4 results found

Lot NumberCertificate TypeDateItem
J2127612Certificate of AnalysisAug 11, 2025 P170458
J2127613Certificate of AnalysisAug 11, 2025 P170458
J2127615Certificate of AnalysisAug 11, 2025 P170458
L2410165Certificate of AnalysisSep 25, 2021 P170458
Chemical and Physical Properties
SolubilitySoluble in organic solvents, ethanol, DMSO.
Melt Point(°C)195-200℃
Molecular Weight139.180 g/mol
XLogP30.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.02 Da
Monoisotopic Mass139.02 Da
Topological Polar Surface Area83.900 Ų
Heavy Atom Count9
Formal Charge0
Complexity115.000
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
Solution Calculators
Reviews

Customer Reviews

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.