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

CAS: 28588-74-1 Cat. No.: M432543 Molecular Weight: 114.17 EC Number: 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

Overview

Other Notes

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Specifications

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

Specifications & Purity

Nature, 1% in Sunflower oil

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Native

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C=CO1)S
• WGK Germany: 3
• RTECS: LU6235000
• UN Number: 1228
• Molecular Weight: 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
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Refractive Index: 1.518
• Flash Point(°F): 98.6 °F
• Flash Point(°C): 37 °C
• Boil Point(°C): 57-60°C
• Molecular Weight: 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

References

1. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Promotion or Inhibition Effects of Exogenous Glutathione-Degraded Amino Acids on the Formation of 2,3-Butanedione and Pyrazines via Varied Pathways of Interaction with α-Dicarbonyl Compounds Derived from N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37737140] [10.1021/acs.jafc.3c04424]

2. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36696632] [10.1021/acs.jafc.2c08360]

3. Li Liu, Yuanhui Zhao, Shixue Lu, Yihuan Liu, Xinxing Xu, Mingyong Zeng.  (2023)  Metabolomics investigation on the volatile and non-volatile composition in enzymatic hydrolysates of Pacific oyster (Crassostrea gigas).  Food Chemistry-X,      [PMID:36845524] [10.1016/j.fochx.2023.100569]

4. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Competitive Formation of 2,3-Butanedione and Pyrazines through Intervention of Added Cysteine during Thermal Processing of Alanine-Xylose Amadori Compounds.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36444759] [10.1021/acs.jafc.2c07026]

5. Linhui Feng, Heping Cui, Pusen Chen, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Promoted Formation of Pyrazines and Sulfur-Containing Volatile Compounds through Interaction of Extra-Added Glutathione or Its Constituent Amino Acids and Secondary Products of Thermally Degraded N-(1-Deoxy-d-ribulos-1-yl)-Glutathione.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35838405] [10.1021/acs.jafc.2c02949]

6. Sam Al-Dalali, Cong Li, Baocai Xu.  (2022)  Insight into the effect of frozen storage on the changes in volatile aldehydes and alcohols of marinated roasted beef meat: Potential mechanisms of their formation.  FOOD CHEMISTRY,      [PMID:35299014] [10.1016/j.foodchem.2022.132629]

7. Xuefei Li, Wei Xie, Fan Bai, Jinlin Wang, Xiaodong Zhou, Ruichang Gao, Xinxing Xu, Yuanhui Zhao.  (2021)  Influence of thermal processing on flavor and sensory profile of sturgeon meat.  FOOD CHEMISTRY,      [PMID:34875433] [10.1016/j.foodchem.2021.131689]

8. Yiqi Zhang, Xuting Ma, Zhiyuan Dai.  (2019)  Comparison of nonvolatile and volatile compounds in raw, cooked, and canned yellowfin tuna (Thunnus albacores).  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  43  (10): (e14111).  [PMID:] [10.1111/jfpp.14111]

9. Zhiyong Xiong, Bing Li, Lin Li, Xiaolong Peng, Yongpo Yin, Longmei Weng.  (2018)  Efficiency of mercapto flavor compounds in removing acrylamide under high temperature and low humidity conditions.  TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY,      [PMID:] [10.1080/02772248.2018.1429945]

10. Nana Zhao, Xinxing Xu, Shiyuan Dong, Yuanhui Zhao, Tianhong Liu, Li Liu, Yue Zhao, Mingyong Zeng, Kang Liu.  (2025)  Effects of steam processing on the flavor formation mechanism of male and female mussels.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117755]

11. Kai Zhang, Guangming Lu, Weiwei Cong, Shu Tian, Taijiang Gui.  (2026)  Intrinsic Dual-Antifouling Silicone: Molecular Design and Coating Fabrication.  LANGMUIR,      [PMID:41563084] [10.1021/acs.langmuir.5c05766]