≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504760807 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760807 |
| Canonical Smiles | CN1C(=S)N=NN1 |
| IUPAC Name | 1-methyl-2H-tetrazole-5-thione |
| InChIKey | XOHZHMUQBFJTNH-UHFFFAOYSA-N |
| INCHI | 1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7) |
| Isomeric SMILES | CN1C(=S)N=NN1 |
| WGK Germany | 3 |
| RTECS | XF7600000 |
| UN Number | 1325 |
| Molecular Weight | 116.14 |
| Reaxy-Rn | 5921976 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5921976&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 | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Tetrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2208514 | Certificate of Analysis | Jul 29, 2026 | M106465 |
| K2208515 | Certificate of Analysis | Jul 29, 2026 | M106465 |
| K2208519 | Certificate of Analysis | Jul 29, 2026 | M106465 |
| K2208520 | Certificate of Analysis | Jul 29, 2026 | M106465 |
| L2111252 | Certificate of Analysis | Sep 09, 2025 | M106465 |
| A2003120 | Certificate of Analysis | Oct 07, 2023 | M106465 |
| Sensitivity | Air sensitive. |
|---|---|
| Melt Point(°C) | 125-128°C |
| Molecular Weight | 116.150 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 116.016 Da |
| Monoisotopic Mass | 116.016 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| 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. Lulu He, Jianqin Qian, Peixi Zhu, Weifeng Yang, Yuanbin She. (2019) Separation and characterization of unknown impurities in latamoxef sodium by LC-Q-TOF MS and a summary of their positive-ion fragmentation regularities. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, [PMID:31377652] [10.1016/j.jpba.2019.112793] |
| 2. Deqin Fan, Chao Zhang, Junpo He, Rong Hua, Yang Zhang, Yuliang Yang. (2012) Redox chemistry between graphene oxide and mercaptan. JOURNAL OF MATERIALS CHEMISTRY, 22 (35): (18564-18571). [PMID:] [10.1039/C2JM33467D] |
| 3. Qi Zhao, Wei Li, Pan Guo, Qing Cheng, Qiao Ding, Tong Liu, Ning Li, Bo Wu, Qinmin Pan, Yanling Xu, Deyu Li. (2025) Synergistic interactions of MMTZ and carboxylic acid polymers: Enhancing the corrosion and oxidation resistance of electrolytic copper foil. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2025.137830] |
