Basic information
- CAS
1446449-92-8- Standard SMILES
COC(=O)c1scc2[nH]cnc12- InChIKey
CESFQXHQSARERP-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2S
- Average molar mass
- 182.2 g/mol
- Monoisotopic mass
- 182.01499861
Names & identifiers
- Preferred name
- methyl 1H-thieno[3,4-d]imidazole-4-carboxylate
- IUPAC
- methyl 1H-thieno[3,4-d]imidazole-4-carboxylate
Names & synonyms
methyl 1H-thieno[3,4-d]imidazole-4-carboxylate1446449-92-8methyl 1H-thieno(3,4-d)imidazole-4-carboxylateRefChem:812828101-748-11H-Thieno[3,4-d]imidazole-6-carboxylic acid methyl esterSCHEMBL27349082SCHEMBL27431225EN300-27107790
Database identifiers
- CAS
1446449-92-8- PubChem CID
- 91554301
- EC Number
- 101-748-1
- Nikkaji
- J3.202.978G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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