Basic information
- CAS
67146-22-9- Standard SMILES
O=S(=O)(O)Cn1[nH]nnc1=S- InChIKey
NLDLXEAUMGUSPX-UHFFFAOYSA-N- Molecular formula
- C2H4N4O3S2
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 195.97248199
Names & identifiers
- Preferred name
- 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
- IUPAC
- (5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
- English name
- 5-Mercapto-1H-tetrazole-1-methane sulphonic acid
- Molecular formula
- C2H4N4O3S2
- Molecular weight
- 196.21
Names & synonyms
2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acidEINECS 266-586-7RefChem:444430266-586-767146-22-95-Mercapto-1,2,3,4-Tetrazole-1-Methyl Sulfonic Acid(5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid1H-Tetrazole-1-methanesulfonicacid, 2,5-dihydro-5-thioxo-5-Mercaptotetrazole-1-methanesulphonic acid(5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)methanesulfonic acidCefonicid Sodium Impurity 3SCHEMBL828830
Show more names
SMT5-Mercapto-1,2,3,4-tetrazole-15-Mercaptotetrazolemethanesulfonicacid5-mercaptotrtrazolemethane sulfonic acid5-MERCAPTOTETRAZOLEMETHANE SULFONEIC ACIDMercapto tetrazole methane sulphonic acid5-Mercaptotetrazole-1-methanesulfonic acid5-MERCAPTO-1H-TETRAZOLE-1-METHANESULFONIC ACID5-Mercapto-1H-tetrazol-1-Methane sulphonic acid
1-sulfomethyltetrazole-5-thiolSCHEMBL4609637SCHEMBL20816393DTXSID60867217AKOS006344002AC-7600DB-054992NS00053372
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 155 · 155-158 °C(lit.)
- Density
- 2.24 · 2.24±0.1 g/cm3(Predicted)
- pka
- -2.41 · -2.41±0.50(Predicted)
- CAS DataBase Reference
- 67146 · 67146-22-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesUsed as Intermediate of cefoxicil.
Upstream & downstream products
Upstream raw materials
Suppliers26 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
上海岚克医药科技发展有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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