| Canonical Smiles | CC1=C(C=CO1)SSC2=C(OC=C2)C |
|---|---|
| IUPAC Name | 2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan |
| InChIKey | OHDFENKFSKIFBJ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3 |
| Isomeric SMILES | CC1=C(C=CO1)SSC2=C(OC=C2)C |
| WGK Germany | 3 |
| Molecular Weight | 226.32 |
| Reaxy-Rn | 6596570 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6596570&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Furans Organic disulfides Sulfenyl compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Furan - Organic disulfide - Oxacycle - Sulfenyl compound - 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 |
| Refractive Index | 1.576 |
|---|---|
| Flash Point(°F) | 110 °C |
| Flash Point(°C) | 110°C |
| Boil Point(°C) | 280°C |
| Molecular Weight | 226.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.012 Da |
| Monoisotopic Mass | 226.012 Da |
| Topological Polar Surface Area | 76.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
| 1. 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] |
| 2. 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] |
