2-(N-Boc-amino)-5-(tributylstannyl)thiazole - ≥95% , CAS No.243972-26-1

CAS: 243972-26-1 Cat. No.: B301182 Molecular Weight: 489.3 EC Number: 663-174-2

GRADE & PURITY ≥95%

Synonyms

C20H38N2O2SSn | Tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate | SY107007 | EN300-7057362 | tert-Butyl (5-(tributylstannyl)thiazol-2-yl)carbamate | DTXSID40376857 | SCHEMBL1094706 | Tert-butyl 5-(tributylstannyl)thiazol-2-ylcarbamate | FT-0685

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

C20H38N2O2SSn | Tert-butyl N-(5-tributylstannyl-1, 3-thiazol-2-yl)carbamate | SY107007 | EN300-7057362 | tert-Butyl (5-(tributylstannyl)thiazol-2-yl)carbamate | DTXSID40376857 | SCHEMBL1094706 | Tert-butyl 5-(tributylstannyl)thiazol-2-ylcarbamate | FT-0685

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
• InChIKey: WBQYLGCBVADFPD-UHFFFAOYSA-N
• INCHI: 1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3
• Isomeric SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=C(S1)NC(=O)OC(C)(C)C
• Molecular Weight: 489.3
• Reaxy-Rn: 8444553
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8444553&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Metal aryls Heteroaromatic compounds Carbamate esters Trialkyltins Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Metal aryl - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Trialkyltin - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organotin compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 78-86 °C
• Molecular Weight: 489.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 490.168 Da
• Monoisotopic Mass: 490.168 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 393.000
• 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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