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· · COA & SDS available for every product · Same-day shipping on in-stock items S,S'-(1,4-Phenylene-bis(1,2-ethanediyl))bis-isothiourea , CAS No.S667772
Synonyms
S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | S,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea | 1,4-pbit | Lopac-P-8352 | Lopac0_000983 | benzene-1,4-diyldiethane-2,1-d
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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
S, S'-(1, 4-PHENYLENE-BIS(1, 2-ETHANEDIYL))BIS-ISOTHIOUREA | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | S, S'-1, 4-phenylene-bis(1, 2-ethanediyl)bis-isothiourea | 1, 4-pbit | Lopac-P-8352 | Lopac0_000983 | benzene-1, 4-diyldiethane-2, 1-d
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N IUPAC Name 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethyl carbamimidothioate InChIKey FZWGDUUJDZCYJR-UHFFFAOYSA-N INCHI 1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) Isomeric SMILES C1=CC(=CC=C1CCSC(=N)N)CCSC(=N)N Molecular Weight 282.4 Reaxy-Rn 10686500 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10686500&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 Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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 282.400 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 8 Exact Mass 282.097 Da Monoisotopic Mass 282.097 Da Topological Polar Surface Area 150.000 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 247.000 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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