N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
Basic information
- CAS
36231-88-6- Standard SMILES
CCc1nnc(NC(=O)c2ccccc2)s1- InChIKey
KYHJEDVPYDGHQI-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.06228316
Names & identifiers
- Preferred name
- N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
- IUPAC
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
- English name
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
- Molecular formula
- C11H11N3OS
- Molecular weight
- 233.29
Names & synonyms
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide36231-88-6IFLab1_000193SCHEMBL8834791KYHJEDVPYDGHQI-UHFFFAOYSA-NHMS1412I17STK093262STK585965AKOS000542039AKOS005509260IDI1_008412ST074423
Show more names
Benzamide, N-(5-ethyl-1,3,4-thiadiazol-2-yl)-
AB00666725-01N-(5-ethyl(1,3,4-thiadiazol-2-yl))benzamideAG-205/09852031Z26824683F0013-1247N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Database identifiers
- CAS
36231-88-6- PubChem CID
- 569586
- EC Number
- 144-565-2
- Nikkaji
- J3.393.535H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
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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