5-(thiophen-2-yl)-2H-1,2,3,4-tetrazole
Basic information
- CAS
59541-58-1- Standard SMILES
c1csc(-c2nn[nH]n2)c1- InChIKey
XVVLITRCMAVPPY-UHFFFAOYSA-N- Molecular formula
- C5H4N4S
- Average molar mass
- 152.18 g/mol
- Monoisotopic mass
- 152.01566732
Names & identifiers
- Preferred name
- 5-(thiophen-2-yl)-2H-1,2,3,4-tetrazole
- IUPAC
- 5-thiophen-2-yl-2H-tetrazole
- English name
- 5-(2-Thienyl)-1H-tetrazole
- Molecular formula
- C5H4N4S
- Molecular weight
- 152.18
Names & synonyms
5-(thiophen-2-yl)-2H-1,2,3,4-tetrazoleRefChem:531699829-830-959541-58-15-(thiophen-2-yl)-2H-tetrazole5-Thiophen-2-yl-2H-tetrazole5-thien-2-yl-2H-tetrazole5-(2-thienyl)-1h-tetrazole2-(2H-Tetrazol-5-yl)thiopheneMFCD06366749CHEMBL13782885-(thiophen-2-yl)-1H-tetrazole
Show more names
AKOS 206-025-thien-2-yl-2H-tetraazole
2-(2H-1,2,3,4-tetraazol-5-yl)thiophene5-(2-thienyl)-2H-tetrazole5-(2-Thienyl)-2H-1,2,3,4-TetraazoletetrazolylthiopheneNSC37373BAS 03206942Maybridge1_008480MLS000071718
Database identifiers
- CAS
59541-58-1- PubChem CID
- 235702
- DTXSID
DTXSID90284473- ChEMBL
CHEMBL1378288- EC Number
- 829-830-9
- Nikkaji
- J1.436.873F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- InChI
- InChI=1S/C5H4N4S/c1-2-4(10-3-1)5-6-8-9-7-5/h1-3H,(H,6,7,8,9)
- InChIKey
- XVVLITRCMAVPPY-UHFFFAOYSA-N
- SMILES
- N1=C(C2SC=CC=2)N=NN1
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- HS Code
- 2934999090 · 2934999090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
Uses5-(2-Thienyl)-1H-tetrazole can be used in the preparation of drugs for the treatment of idiopathic pulmonary fibrosis.
Suppliers
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Related reactions
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Compound notes
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