Basic information
- CAS
4800-27-5- Standard SMILES
Cn1c(=S)ccc2ccccc21- InChIKey
PBRBGUUOYSTUHP-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557029
Names & identifiers
- Preferred name
- 1-Methyl-2(1H)-quinolinethione
- IUPAC
- 1-methylquinoline-2-thione
- English name
- 1-Methyl-1,2-dihydro-2-quinolinethione
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
4800-27-51-METHYL-2(1H)-QUINOLINETHIONERefChem:433938667-066-61-methylquinoline-2(1H)-thione2(1H)-Quinolinethione, 1-methyl-1-Methyl-1,2-dihydro-2-quinolinethioneZ567614611-methyl-quinoline-2-thione1-methylquinoline-2-thione1-methyl-1,2-dihydroquinoline-2-thione1-Methylthiochinolon
Show more names
EU-0043975T0500-6389ZINC00179465SMR0003543691-Methyl-2-thioquinolone1-methyl-2-quinolinethione
1-methylquinolin-2-thioneMLS001018066SCHEMBL2332129SCHEMBL9080236SCHEMBL9208233CHEMBL1331002DTXSID80902634HMS2641K15
Database identifiers
- CAS
4800-27-5- PubChem CID
- 741419
- DTXSID
DTXSID80902634- ChEMBL
CHEMBL1331002- EC Number
- 667-066-6
- Nikkaji
- J39.115H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 116 · 116-117 °C
- Boiling point
- 268.8 · 268.8±43.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- -0.84 · -0.84±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
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 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
4 records
Compound notes
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