NV-31 - Moligand™ , CAS No.335259-33-1

CAS: 335259-33-1 Cat. No.: N612435 PubChem CID: 10198012

GRADE & PURITY Moligand™

Synonyms

NV-31|4-tert-butyl-1-oxothian-4-ol|335259-33-1|GTPL2375|SCHEMBL7752800|SCHEMBL7752805|CHEMBL1092620|DTXSID10436639|Q27088101

Storage

Room temperature

Specifications

同義語

NV-31 | 4-tert-butyl-1-oxothian-4-ol | 335259-33-1 | GTPL2375 | SCHEMBL7752800 | SCHEMBL7752805 | CHEMBL1092620 | DTXSID10436639 | Q27088101

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

• カノニカル・スマイル: CC(C1(O)CCS(=O)CC1)(C)C
• IUPAC Name: 4-tert-butyl-1-oxothian-4-ol
• InChIKey: BKPWCHDEUGQJRG-UHFFFAOYSA-N
• INCHI: 1S/C9H18O2S/c1-8(2,3)9(10)4-6-12(11)7-5-9/h10H,4-7H2,1-3H3
• 異性体SMILES: CC(C)(C)C1(CCS(=O)CC1)O
• PubChem CID: 10198012

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Thianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Thianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thianes
• Alternative Parents: Tertiary alcohols Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiane - Tertiary alcohol - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one 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

作用メカニズム