4-Quinolinethiol, 2-methyl-
Basic information
- CAS
90945-94-1- Standard SMILES
Cc1cc(=S)c2ccccc2[nH]1- InChIKey
FQKLIBNGRKRDCL-UHFFFAOYSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557046
Names & identifiers
- Preferred name
- 4-Quinolinethiol, 2-methyl-
- IUPAC
- 2-methyl-1H-quinoline-4-thione
- English name
- 2-Methyl-quinoline-4-thiol
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
2-methylquinoline-4-thiol90945-94-14-Mercapto-2-methylquinoline4-Quinolinethiol, 2-methyl-2-Methyl-4-quinolinethiol4-Tio-2-metilchinolina [Italian]4-Tio-2-metilchinolinaBRN 0118321DTXSID802383292-21-00-00063 (Beilstein Handbook Reference)RefChem:526699DTXCID50160820
Show more names
997-503-92-methyl-1H-quinoline-4-thione2-Methylquinoline-4(1h)-thione2-Methyl-quinoline-4-thiolMLS000768611SCHEMBL945934CHEMBL1306515HMS2780I04
Database identifiers
- CAS
90945-94-1- PubChem CID
- 940263
- DTXSID
DTXSID80238329- ChEMBL
CHEMBL1306515- EC Number
- 997-503-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
Solubility20.5 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionLiquid
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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