2-(4-methylquinolin-2-yl)benzenethiol

C16H13NS — CID 136656831

IUPAC2-(4-methylquinolin-2-yl)benzenethiol
SMILESCc1cc(-c2ccccc2S)nc2ccccc12
InChIInChI=1S/C16H13NS/c1-11-10-15(13-7-3-5-9-16(13)18)17-14-8-4-2-6-12(11)14/h2-10,18H,1H3
InChIKeyNPZQGQBEBZCCPL-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.50
Rot. Bonds1

About 2-(4-methylquinolin-2-yl)benzenethiol

2-(4-methylquinolin-2-yl)benzenethiol (PubChem CID 136656831) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)benzenethiol.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)benzenethiol
PubChem CID136656831
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2-(4-methylquinolin-2-yl)benzenethiol
SMILESCc1cc(-c2ccccc2S)nc2ccccc12
InChIInChI=1S/C16H13NS/c1-11-10-15(13-7-3-5-9-16(13)18)17-14-8-4-2-6-12(11)14/h2-10,18H,1H3
InChIKeyNPZQGQBEBZCCPL-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
sodium 2-(4-methylquinolin-2-yl)-3-oxoinden-1-olate
CID 23678487
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline
CID 118449001
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
4,4-dimethyl-2-(4-methylquinolin-2-yl)-1H-imidazol-5-one
CID 106953433
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)benzenethiol?
The IUPAC name of 2-(4-methylquinolin-2-yl)benzenethiol (CID 136656831) is 2-(4-methylquinolin-2-yl)benzenethiol.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)benzenethiol?
The canonical SMILES for 2-(4-methylquinolin-2-yl)benzenethiol is Cc1cc(-c2ccccc2S)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)benzenethiol?
The InChIKey is NPZQGQBEBZCCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-11-10-15(13-7-3-5-9-16(13)18)17-14-8-4-2-6-12(11)14/h2-10,18H,1H3.
What are the key properties of 2-(4-methylquinolin-2-yl)benzenethiol?
2-(4-methylquinolin-2-yl)benzenethiol has a molecular weight of 251.35 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)benzenethiol is sourced from PubChem (CID 136656831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).