MTSSL - ≥98% , CAS No.81213-52-7

CAS: 81213-52-7 Cat. No.: M276136 Formula: C₁₀H₁₈NO₃S₂ Molecular Weight: 264.3

GRADE & PURITY ≥98%

Synonyms

2,5-Dihydro-2,2,5,5-tetramethyl-3-[[(methylsulfonyl)thio]methyl]-1H-pyrrol-1-yloxy | Pmmts label | (1-OXYL-2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE-15N-D15 | (1-Oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate | MTS (s

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

A highly reactive thiol-specific spin-label. A specific conformational probe of thiol site structure by virtue of its minimal rotational freedom and distance from the covalent disulfide linkage to the macromolecule under study.

Specifications

Synonyms

2,5-Dihydro-2,2,5,5-tetramethyl-3-[[(methylsulfonyl)thio]methyl]-1H-pyrrol-1-yloxy | Pmmts label | (1-OXYL-2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-METHYL) METHANETHIOSULFONATE-15N-D15 | (1-Oxyl-2,2,5,5-tetramethylpyrroline-3-methyl)methanethiosulfonate | MTS (s

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Highly reactive thiol-specific spin label. For protein cysteine residue labeling, in protein structure and protein dynamics determination and in protein-protein and protein-oligonucleotide interaction studies. Active in vitro .

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504757023
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757023
• Canonical Smiles: CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
• InChIKey: BLSCGBLQCTWVPO-UHFFFAOYSA-N
• INCHI: 1S/C10H18NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6H,7H2,1-5H3
• Isomeric SMILES: CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C
• Molecular Weight: 264.3
• Reaxy-Rn: 19123628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19123628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Sulfonyls Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfonyl - Pyrroline - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
• 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

• Solubility: Soluble in water, in ethanol and in DMSO
• Sensitivity: light sensitive
• Melt Point(°C): 93-99°C
• Molecular Weight: 264.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 264.073 Da
• Monoisotopic Mass: 264.073 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 404.000
• 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

Frequently Asked Questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81213-52-7, the molecular formula is C10H18NO3S2, and the molecular weight is 264.3 g/mol. InChIKey BLSCGBLQCTWVPO-UHFFFAOYSA-N.

How should this product be stored?

Store at ?20 °C, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.