8-Acetamido-5-amino-6-(methylthio)quinoline
Basic information
- CAS
134992-40-8- Standard SMILES
CSc1cc(NC(C)=O)c2ncccc2c1N- InChIKey
KSICPQPXAOXQCU-UHFFFAOYSA-N- Molecular formula
- C12H13N3OS
- Average molar mass
- 247.32 g/mol
- Monoisotopic mass
- 247.07793322
Names & identifiers
- Preferred name
- 8-Acetamido-5-amino-6-(methylthio)quinoline
- IUPAC
- N-(5-amino-6-methylsulfanylquinolin-8-yl)acetamide
- English name
- 8-Acetamido-5-amino-6-(methylthio)quinoline
- Molecular formula
- C12H13N3OS
- Molecular weight
- 247.32
Names & synonyms
8-ACETAMIDO-5-AMINO-6-(METHYLTHIO)QUINOLINERefChem:547532660-788-2134992-40-8N-(5-Amino-6-(methylthio)quinolin-8-yl)acetamideN-(5-amino-6-methylsulfanylquinolin-8-yl)acetamideSCHEMBL8856328DTXSID20332693AKOS0225070958-Acetamido-5-amino-6-methylmercaptoquinolineN-(5-amino-6-methylsulfanyl-8-quinolyl)acetamideN-[5-amino-6-(methylsulfanyl)-8-quinolinyl]acetamide
Show more names
Acetamide, N-[5-amino-6-(methylthio)-8-quinolinyl]-
N-[5-Amino-6-(methylsulfanyl)quinolin-8-yl]acetamide
Database identifiers
- CAS
134992-40-8- PubChem CID
- 459713
- DTXSID
DTXSID20332693- EC Number
- 660-788-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 141 · 141-143 °C
- Boiling point
- 406.4 · 406.4±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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