cis-hexahydro-1H-thieno[3,4-c]pyrrole hydrochloride - ≥97% , CAS No.179339-70-9

CAS: 179339-70-9 Cat. No.: C630491 PubChem CID: 66591937

GRADE & PURITY ≥97%

Synonyms

179339-70-9 | cis-hexahydro-1H-thieno[3,4-c]pyrrole hydrochloride | cis-hexahydro-1h-thieno[3,4-c]pyrrole hcl | (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole | hydrochloride | (3aR,6aS)-hexahydro-1H-thieno[3,4-c]pyrrole hydrochloride | SCHEMBL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

179339-70-9 | cis-hexahydro-1H-thieno[3, 4-c]pyrrole hydrochloride | cis-hexahydro-1h-thieno[3, 4-c]pyrrole hcl | (3aR, 6aS)-3, 3a, 4, 5, 6, 6a-hexahydro-1H-thieno[3, 4-c]pyrrole | hydrochloride | (3aR, 6aS)-hexahydro-1H-thieno[3, 4-c]pyrrole hydrochloride | SCHEMBL

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2CSCC2CN1.Cl
• IUPAC Name: (3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-thieno[3,4-c]pyrrole;hydrochloride
• InChIKey: UTFHVCNHGSHVLP-KNCHESJLSA-N
• INCHI: 1S/C6H11NS.ClH/c1-5-3-8-4-6(5)2-7-1;/h5-7H,1-4H2;1H/t5-,6+
• Isomeric SMILES: C1[C@@H]2CSC[C@@H]2CN1.Cl
• PubChem CID: 66591937

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiolanes
• Alternative Parents: Pyrrolidines Dialkylthioethers Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Thiolane - Pyrrolidine - Azacycle - Dialkylthioether - Thioether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom.
• 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: 165.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 165.038 Da
• Monoisotopic Mass: 165.038 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

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