7-Methoxy-4-methylquinoline-2-thiol
Basic information
- CAS
52507-57-0- Standard SMILES
COc1ccc2c(C)cc(=S)[nH]c2c1- InChIKey
QJNQZUVUCGOPFS-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 7-Methoxy-4-methylquinoline-2-thiol
- IUPAC
- 7-methoxy-4-methyl-1H-quinoline-2-thione
- English name
- 2-Mercapto-7-Methoxy-4-Methylquinoline, 96%
- Molecular formula
- C11H11NOS
- Molecular weight
- 205.28
Names & synonyms
7-Methoxy-4-methylquinoline-2-thiol52507-57-0DTXSID00350355RefChem:310981DTXCID603014247-methoxy-4-methyl-1H-quinoline-2-thione7-Methoxy-4-methyl-quinoline-2-thiol7-Methoxy-4-methylquinoline-2(1H)-thioneMFCD007050217-methoxy-4-methyl-1,2-dihydroquinoline-2-thioneCBMicro_019952CBMicro_026931
Show more names
7-Methoxy-4-methyl-2(1H)-quinolinethione2(1H)-Quinolinethione, 7-methoxy-4-methyl-2-Mercapto-7-Methoxy-4-Methylquinoline, 96%
Oprea1_326494Oprea1_608265MLS001018555CHEMBL1477596HMS1726F21HMS2659M04CCG-74907-methoxy-4-methyl-2-quinolinethiol
Database identifiers
- CAS
52507-57-0- PubChem CID
- 676907
- DTXSID
DTXSID00350355- ChEMBL
CHEMBL1477596- EC Number
- 676-532-8
- Nikkaji
- J466.205I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 233 · 233-235℃
- Boiling point
- 308.9 · 308.9±52.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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