Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads 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.
Overview
Sulbentine (Dibenzthione) is an azole antifungal agent that has fungistatic and fungicidal activities.
Specifications
Synonyms
Dibenzthione
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Product Properties
| ALogP | 4.3 |
|---|
Names and Identifiers
| Canonical Smiles | C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3 |
|---|---|
| IUPAC Name | 3,5-dibenzyl-1,3,5-thiadiazinane-2-thione |
| InChIKey | QFVAWNPSRQWSDU-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N2S2/c20-17-19(12-16-9-5-2-6-10-16)13-18(14-21-17)11-15-7-3-1-4-8-15/h1-10H,11-14H2 |
| Isomeric SMILES | C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3 |
| Molecular Weight | 314.47 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Benzene and substituted derivatives
- Subclass Benzylamines
- Class Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylamines |
| Alternative Parents | Thiadiazinanes Cyclic dithiocarbamic acid esters Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Thiadiazinane - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Azacycle - Organoheterocyclic compound - Hemithioaminal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylamines. These are organic compounds containing benzylamine, which consists of a benzene group attached to an amine group. |
| External Descriptors | aromatic amine |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
OPRD1 Tclin Delta opioid receptor (15096 Activities)
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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
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HepG2 (196354 Activities)
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HTT Tchem Huntingtin (19182 Activities)
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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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LMNA Tbio Prelamin-A/C (36751 Activities)
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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GMNN Tbio Geminin (128009 Activities)
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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)
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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
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OPRD1 Tclin Opioid receptors; mu & delta (1530 Activities)
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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
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GCN5 Histone acetyltransferase GCN5 (89 Activities)
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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
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Rorc Nuclear receptor ROR-gamma (89407 Activities)
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NS1 Nonstructural protein 1 (33327 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 314.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 314.091 Da |
| Monoisotopic Mass | 314.091 Da |
| Topological Polar Surface Area | 63.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 336.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
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View Moligand™ grade guide →Related Products
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