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· · COA & SDS available for every product · Same-day shipping on in-stock items Iodophenpropit , CAS No.145196-88-9
Synonyms
Iodophenpropit | 3SH45L9H3Z | 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate | 3-(1H-Imidazol-4-yl)propyl (4-iodophenethyl)carbamimidothioate | UNII-3SH45L9H3Z | Tocris-0779 | BDBM22913 | CHEBI:92905 | DTXSID20273996 | BCP27685 |
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
Iodophenpropit | 3SH45L9H3Z | 3-(1H-Imidazol-5-yl)propyl N'-(2-(4-iodophenyl)ethyl)imidothiocarbamate | 3-(1H-Imidazol-4-yl)propyl (4-iodophenethyl)carbamimidothioate | UNII-3SH45L9H3Z | Tocris-0779 | BDBM22913 | CHEBI:92905 | DTXSID20273996 | BCP27685 |
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I IUPAC Name 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate InChIKey UBHYDQAARZKHEZ-UHFFFAOYSA-N INCHI 1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20) Isomeric SMILES C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I Molecular Weight 414.3 Reaxy-Rn 26808108 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26808108&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 Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Not available Direct Parent Iodobenzenes Alternative Parents Aryl iodides Imidazoles Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Iodobenzene - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Imidazole - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organopnictogen compound - Organoiodide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. External Descriptors Not available Data sources 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 414.300 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 8 Exact Mass 414.038 Da Monoisotopic Mass 414.038 Da Topological Polar Surface Area 92.400 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 319.000 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
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