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 EC: 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

Descripción general

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

Especificaciones y pureza

Nature, 1% in Sunflower oil

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Native

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

CC1=C(C=CO1)S

WGK Alemania

3

RTECS

LU6235000

Número ONU

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
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.518
• Punto de inflamación (°F): 98.6 °F
• Punto de inflamación (°C): 37 °C
• Punto de ebullición (°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