3-Benzoylthiazolidine-2-thione - ≥98% , CAS No.70326-37-3

CAS: 70326-37-3 Cat. No.: B152407 Molecular Weight: 223.31
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
EN300-302578 | SR-01000314849-1 | phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone | Phenyl-(2-thioxo-thiazolidin-3-yl)-methanone | Phenyl(2-thioxothiazolidin-3-yl)methanone | STK371256 | AKOS005445658 | MFCD00457448 | SCHEMBL2685197 | 3-BENZOYL-1,3
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B152407-1g
3
$92.90
5g
B152407-5g
4
$279.90
25g
B152407-25g
2
$1,231.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
EN300-302578 | SR-01000314849-1 | phenyl-(2-sulfanylidene-1, 3-thiazolidin-3-yl)methanone | Phenyl-(2-thioxo-thiazolidin-3-yl)-methanone | Phenyl(2-thioxothiazolidin-3-yl)methanone | STK371256 | AKOS005445658 | MFCD00457448 | SCHEMBL2685197 | 3-BENZOYL-1, 3
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488191600
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191600
Canonical SmilesC1CSC(=S)N1C(=O)C2=CC=CC=C2
IUPAC Namephenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
InChIKeyNWKQMWLTQNBOHI-UHFFFAOYSA-N
INCHI1S/C10H9NOS2/c12-9(8-4-2-1-3-5-8)11-6-7-14-10(11)13/h1-5H,6-7H2
Isomeric SMILES C1CSC(=S)N1C(=O)C2=CC=CC=C2
Molecular Weight 223.31
Reaxy-Rn 519793
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=519793&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids and derivatives
Alternative Parents Benzoyl derivatives  Thiazolidinethiones  Cyclic dithiocarbamic acid esters  Carboxylic acids and derivatives  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzoic acid or derivatives - Benzoyl - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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.

7 results found

Lot NumberCertificate TypeDateItem
G2304304Certificate of AnalysisJun 10, 2023 B152407
G2304346Certificate of AnalysisJun 10, 2023 B152407
G2304352Certificate of AnalysisJun 10, 2023 B152407
G2304353Certificate of AnalysisJun 10, 2023 B152407
G2304354Certificate of AnalysisJun 10, 2023 B152407
G2304356Certificate of AnalysisJun 10, 2023 B152407
H2525062Certificate of AnalysisJun 10, 2023 B152407
Chemical and Physical Properties
Melt Point(°C)108.0 - 112.0 °C
Molecular Weight223.300 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass223.013 Da
Monoisotopic Mass223.013 Da
Topological Polar Surface Area77.700 Ų
Heavy Atom Count14
Formal Charge0
Complexity249.000
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
Solution Calculators
Reviews

Customer Reviews

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