2-Mercaptoethanol - BioReagent , CAS No.60-24-2

CAS: 60-24-2 Cat. No.: M274256 Formula: C₂H₆OS Molecular Weight: 78.13 Beilstein Registry Number: 773648 EC Number: 200-464-6

GRADE & PURITY BioReagent

Synonyms

2-mercaptoethanol|Mercaptoethanol|60-24-2|Beta-Mercaptoethanol|Thioglycol|2-Sulfanylethanol|Ethanol, 2-mercapto-|2-Thioethanol|Thioethylene glycol|2-Hydroxyethanethiol|2-Hydroxyethyl mercaptan|Monothioglycol|Thiomonoglycol|2-Hydroxy-1-ethanethiol|1-Ethano

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

2-mercaptoethanol | Mercaptoethanol | 60-24-2 | Beta-Mercaptoethanol | Thioglycol | 2-Sulfanylethanol | Ethanol, 2-mercapto- | 2-Thioethanol | Thioethylene glycol | 2-Hydroxyethanethiol | 2-Hydroxyethyl mercaptan | Monothioglycol | Thiomonoglycol | 2-Hydroxy-1-ethanethiol | 1-Ethano

Specifications & Purity

BioReagent

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

BioReagent

Names and Identifiers

Pubchem Sid

508813351

Canonical Smiles

C(CS)O

IUPAC Name

2-sulfanylethanol

InChIKey

DGVVWUTYPXICAM-UHFFFAOYSA-N

INCHI

1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2

Isomeric SMILES

C(CS)O

WGK Germany

3

RTECS

KL5600000

UN Number

UN 2966

Packing Group

II

Molecular Weight

78.13

Beilstein

773648

Reaxy-Rn

773648

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773648&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• External Descriptors: a small molecule

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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive & Air Sensitive
• Refractive Index: 1.499-1.502
• Flash Point(°F): 167℉
• Flash Point(°C): 75℃
• Boil Point(°C): 157-158°C
• Melt Point(°C): -100°C
• Molecular Weight: 78.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 78.0139 Da
• Monoisotopic Mass: 78.0139 Da
• Topological Polar Surface Area: 21.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.000
• 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