(2-methylquinolin-4-yl)methanethiol

C11H11NS — CID 79885955

IUPAC(2-methylquinolin-4-yl)methanethiol
SMILESCc1cc(CS)c2ccccc2n1
InChIInChI=1S/C11H11NS/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKeyWOYXIJONYFWTBA-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.97
Rot. Bonds1

About (2-methylquinolin-4-yl)methanethiol

(2-methylquinolin-4-yl)methanethiol (PubChem CID 79885955) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is (2-methylquinolin-4-yl)methanethiol.

Molecular Properties

Compound Name(2-methylquinolin-4-yl)methanethiol
PubChem CID79885955
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name(2-methylquinolin-4-yl)methanethiol
SMILESCc1cc(CS)c2ccccc2n1
InChIInChI=1S/C11H11NS/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKeyWOYXIJONYFWTBA-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methylquinolin-4-yl)methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
4-(isocyanomethyl)-2-methylquinoline
CID 83482593
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
3-(2-methylquinolin-4-yl)-2-sulfanylpropanoic acid
CID 79235361
4-hexyl-2-methylquinoline
CID 12861362
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-methylquinolin-4-amine
CID 162035180
5-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-diamine
CID 70525378
4-(2-chloro-3,3-dimethylbutyl)-2-methylquinoline
CID 63530701

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-4-yl)methanethiol?
The IUPAC name of (2-methylquinolin-4-yl)methanethiol (CID 79885955) is (2-methylquinolin-4-yl)methanethiol.
What is the SMILES notation for (2-methylquinolin-4-yl)methanethiol?
The canonical SMILES for (2-methylquinolin-4-yl)methanethiol is Cc1cc(CS)c2ccccc2n1.
What is the InChIKey of (2-methylquinolin-4-yl)methanethiol?
The InChIKey is WOYXIJONYFWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3.
What are the key properties of (2-methylquinolin-4-yl)methanethiol?
(2-methylquinolin-4-yl)methanethiol has a molecular weight of 189.28 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-4-yl)methanethiol is sourced from PubChem (CID 79885955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).