2-Methyl-3-furanthiol - Nature, 1% in Sunflower oil , CAS No.28588-74-1

CAS: 28588-74-1 Cat. No.: M432543 Fórmula: C₅H₆OS Peso molecular: 114.17 Número CE: 249-094-7

GRADE & PURITY Native, 1% in Sunflower oil

Synonyms

SB60941 | 2-Methyl, 3-furanethiol | 2-methyl-3-sulfanylfuran | M1847 | 2-methyluran-3-thiol | UNII-N21RW1N179 | Tox21_302709 | EN300-126929 | METHYL-3-FURANTHIOL, 2- | 2-Methyl-3-furanthiol (90per cent) | AKOS015897434 | FEMA 3188 | Oxycyclothione 030 | 2

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Other Notes

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Specifications

Sinónimos

SB60941 | 2-Methyl, 3-furanethiol | 2-methyl-3-sulfanylfuran | M1847 | 2-methyluran-3-thiol | UNII-N21RW1N179 | Tox21_302709 | EN300-126929 | METHYL-3-FURANTHIOL, 2- | 2-Methyl-3-furanthiol (90per cent) | AKOS015897434 | FEMA 3188 | Oxycyclothione 030 | 2

Especificações e pureza

Nature, 1% in Sunflower oil

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Native

Nomes e identificadores

Sorrisos canónicos

CC1=C(C=CO1)S

IUPAC Name

2-methylfuran-3-thiol

InChIKey

RUYNUXHHUVUINQ-UHFFFAOYSA-N

INCHI

1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3

SMILES isoméricas

CC1=C(C=CO1)S

WGK Alemanha

3

RTECS

LU6235000

Número UN

1228

Peso molecular

114.17

Reaxy-Rn

7017811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7017811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Thiols Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Arylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

Propriedades químicas e físicas

• Índice de refração: 1.518
• Ponto de inflamação (°F): 98.6 °F
• Ponto de inflamação (°C): 37 °C
• Ponto de ebulição (°C): 57-60°C
• Peso molecular: 114.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.014 Da
• Monoisotopic Mass: 114.014 Da
• Topological Polar Surface Area: 14.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 65.099
• 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