1-[tris(propan-2-yl)silyl]-1H-indole-6-sulfonyl chloride - ≥97% , CAS No.912846-33-4

CAS: 912846-33-4 Cat. No.: H635093 Molecular Weight: 372 PubChem CID: 57659737

GRADE & PURITY ≥97%

Synonyms

912846-33-4 | 1-(triisopropylsilyl)-1H-indole-6-sulfonylchloride | 1-[Tris(propan-2-yl)silyl]-1H-indole-6-sulfonyl chloride | 1-tri(propan-2-yl)silylindole-6-sulfonyl chloride | 1-(triisopropylsilyl)-1H-indole-6-sulfonyl chloride | SCHEMBL4176792 | 1-[tri

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

912846-33-4 | 1-(triisopropylsilyl)-1H-indole-6-sulfonylchloride | 1-[Tris(propan-2-yl)silyl]-1H-indole-6-sulfonyl chloride | 1-tri(propan-2-yl)silylindole-6-sulfonyl chloride | 1-(triisopropylsilyl)-1H-indole-6-sulfonyl chloride | SCHEMBL4176792 | 1-[tri

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C1C=C(C=C2)S(=O)(=O)Cl
• IUPAC Name: 1-tri(propan-2-yl)silylindole-6-sulfonyl chloride
• InChIKey: CGXNRHIOGIMWBE-UHFFFAOYSA-N
• INCHI: 1S/C17H26ClNO2SSi/c1-12(2)23(13(3)4,14(5)6)19-10-9-15-7-8-16(11-17(15)19)22(18,20)21/h7-14H,1-6H3
• Isomeric SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C1C=C(C=C2)S(=O)(=O)Cl
• PubChem CID: 57659737
• Molecular Weight: 372

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Alkylarylsilanes Substituted pyrroles Benzenoids Trialkylheterosilanes Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Alkylarylsilane - Substituted pyrrole - Benzenoid - Trialkylheterosilane - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - N-silyl compound - Organic metalloid salt - Azacycle - Organoheterosilane - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organosilicon compound - Organic nitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

• Molecular Weight: 372.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 371.114 Da
• Monoisotopic Mass: 371.114 Da
• Topological Polar Surface Area: 47.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 493.000
• 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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