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· · COA & SDS available for every product · Same-day shipping on in-stock items S-Isopropyl-isothiourea , CAS No.6913-17-3
Synonyms
S-ISOPROPYL-ISOTHIOUREA | 2-Isopropyl-isothiourea | Isopropyl carbamimidothioate | propan-2-yl carbamimidothioate | Tocris-0897 | S-isopropyl isothiourea | starbld0040911 | Carbamimidothioic acid, 1-methylethyl ester | 1-methylethyl imidothiocarbamate | 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-ISOPROPYL-ISOTHIOUREA | 2-Isopropyl-isothiourea | Isopropyl carbamimidothioate | propan-2-yl carbamimidothioate | Tocris-0897 | S-isopropyl isothiourea | starbld0040911 | Carbamimidothioic acid, 1-methylethyl ester | 1-methylethyl imidothiocarbamate | D
Product Properties Names and Identifiers Canonical Smiles CC(C)SC(=N)N IUPAC Name propan-2-yl carbamimidothioate InChIKey XSSNABKEYXKKMK-UHFFFAOYSA-N INCHI 1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6) Isomeric SMILES CC(C)SC(=N)N PubChem CID 445319 Molecular Weight 118.2
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.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organosulfur compounds Class Isothioureas Subclass Not available Intermediate Tree Nodes Not available Direct Parent Isothioureas Alternative Parents Sulfenyl compounds Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as isothioureas. These are organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl). 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 118.200 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 118.056 Da Monoisotopic Mass 118.056 Da Topological Polar Surface Area 75.200 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 70.100 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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