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

CAS: 28588-74-1 Cat. No.: M432543 Formule: C₅H₆OS Poids moléculaire: 114.17 Numéro 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

Vue d’ensemble

Other Notes

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Specifications

Synonymes

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

Spécifications et pureté

Nature, 1% in Sunflower oil

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Native

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CC1=C(C=CO1)S

WGK Allemagne

3

RTECS

LU6235000

Numéro ONU

1228

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.518
• Point d'éclair (°F): 98.6 °F
• Point d'éclair (°C): 37 °C
• Point d'ébullition (°C): 57-60°C
• Poids moléculaire: 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