(2-methylsulfanylquinolin-3-yl)methanol

C11H11NOS — CID 63835189

IUPAC(2-methylsulfanylquinolin-3-yl)methanol
SMILESCSc1nc2ccccc2cc1CO
InChIInChI=1S/C11H11NOS/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3
InChIKeyPPHXPNMLSUPXMA-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.45
Rot. Bonds2

About (2-methylsulfanylquinolin-3-yl)methanol

(2-methylsulfanylquinolin-3-yl)methanol (PubChem CID 63835189) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (2-methylsulfanylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfanylquinolin-3-yl)methanol
PubChem CID63835189
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(2-methylsulfanylquinolin-3-yl)methanol
SMILESCSc1nc2ccccc2cc1CO
InChIInChI=1S/C11H11NOS/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3
InChIKeyPPHXPNMLSUPXMA-UHFFFAOYSA-N
XLogP2.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
[2-(2-chlorophenyl)sulfanylquinolin-3-yl]methanol
CID 63814729
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 63836117
[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926902
[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 106926972
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
CID 63835635
3-[3-(hydroxymethyl)quinolin-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63835072
N-[(2-methylsulfanylquinolin-3-yl)methylidene]hydroxylamine
CID 3770998
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240
methyl 3-(4-hydroxyphenyl)-2-[(2-methylsulfanylquinolin-3-yl)methylamino]propanoate
CID 172873755
[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylquinolin-3-yl)methanol?
The IUPAC name of (2-methylsulfanylquinolin-3-yl)methanol (CID 63835189) is (2-methylsulfanylquinolin-3-yl)methanol.
What is the SMILES notation for (2-methylsulfanylquinolin-3-yl)methanol?
The canonical SMILES for (2-methylsulfanylquinolin-3-yl)methanol is CSc1nc2ccccc2cc1CO.
What is the InChIKey of (2-methylsulfanylquinolin-3-yl)methanol?
The InChIKey is PPHXPNMLSUPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3.
What are the key properties of (2-methylsulfanylquinolin-3-yl)methanol?
(2-methylsulfanylquinolin-3-yl)methanol has a molecular weight of 205.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylquinolin-3-yl)methanol is sourced from PubChem (CID 63835189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).