(S)-S-tert-Butyl 2-methylpropane-2-sulfinothioate - ≥98% , CAS No.60011-16-7

CAS: 60011-16-7 Cat. No.: S589615 Molecular Weight: 194.36 EC Number: 633-129-1 PubChem CID: 11446882

GRADE & PURITY ≥98%

Synonyms

2-methyl-2-{[(S)-2-methylpropane-2-sulfinyl]sulfanyl}propane | AKOS015963124 | 2-Propanesulfinothioic acid, 2-methyl-, S-(1,1-dimethylethyl) ester, (S)- | C8H18OS2 | ZFKIFCIQBZYNIQ-NSHDSACASA-N | (S)-(-)-tert-Butyl tert-butanethiosulfinate | DS-18071 | 2-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

2-methyl-2-{[(S)-2-methylpropane-2-sulfinyl]sulfanyl}propane | AKOS015963124 | 2-Propanesulfinothioic acid, 2-methyl-, S-(1, 1-dimethylethyl) ester, (S)- | C8H18OS2 | ZFKIFCIQBZYNIQ-NSHDSACASA-N | (S)-(-)-tert-Butyl tert-butanethiosulfinate | DS-18071 | 2-

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)SS(=O)C(C)(C)C
• IUPAC Name: 2-[(S)-tert-butylsulfinyl]sulfanyl-2-methylpropane
• InChIKey: ZFKIFCIQBZYNIQ-NSHDSACASA-N
• INCHI: 1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3/t11-/m0/s1
• Isomeric SMILES: CC(C)(C)S[S@](=O)C(C)(C)C
• PubChem CID: 11446882
• Molecular Weight: 194.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Thiosulfinic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Thiosulfinic acid esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiosulfinic acid esters
• Alternative Parents: Sulfinyl compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosulfinic acid ester - Sulfenyl compound - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thiosulfinic acid esters. These are organic compounds containing an ester of thiosulfinic acid with the general structure RS(=S)OR' (R, R'=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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 194.400 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.08 Da
• Monoisotopic Mass: 194.08 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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