1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
Basic information
- CAS
257862-97-8- Standard SMILES
CNc1nc(CC(C)=O)ns1- InChIKey
OAGMZNVAKMLSPP-UHFFFAOYSA-N- Molecular formula
- C6H9N3OS
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.04663309
Names & identifiers
- Preferred name
- 1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
- IUPAC
- 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one
- English name
- 1-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one
- Molecular formula
- C6H9N3OS
- Molecular weight
- 171.22
Names & synonyms
257862-97-81-(5-Methylamino-[1,2,4]thiadiazol-3-yl)-propan-2-one1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]acetone1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one1-[5-(Methylamino)-1,2,4-thiadiazol-3-yl]-2-propanone1-(5-(Methylamino)-1,2,4-thiadiazol-3-yl)propan-2-oneMFCD00173993MLS000068128Maybridge1_007662SCHEMBL4887731CHEMBL1735327HMS563E06
Show more names
2-Propanone, 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]-
DTXSID403495662-Propanone,1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]-HMS2156F17HMS3313E08CS-B1569HKA86297CCG-45746SBB088525
Database identifiers
- CAS
257862-97-8- PubChem CID
- 653344
- DTXSID
DTXSID40349566- ChEMBL
CHEMBL1735327- EC Number
- 182-919-8
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light brown to brown Solid
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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