(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol

C8H11NOS — CID 171157610

IUPAC(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol
SMILESCSc1cnc(CO)cc1C
InChIInChI=1S/C8H11NOS/c1-6-3-7(5-10)9-4-8(6)11-2/h3-4,10H,5H2,1-2H3
InChIKeyWXUAZHUJOKIZQS-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.60
Rot. Bonds2

About (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol

(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol (PubChem CID 171157610) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol
PubChem CID171157610
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol
SMILESCSc1cnc(CO)cc1C
InChIInChI=1S/C8H11NOS/c1-6-3-7(5-10)9-4-8(6)11-2/h3-4,10H,5H2,1-2H3
InChIKeyWXUAZHUJOKIZQS-UHFFFAOYSA-N
XLogP1.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol?
The IUPAC name of (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol (CID 171157610) is (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol?
The canonical SMILES for (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol is CSc1cnc(CO)cc1C.
What is the InChIKey of (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol?
The InChIKey is WXUAZHUJOKIZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-3-7(5-10)9-4-8(6)11-2/h3-4,10H,5H2,1-2H3.
What are the key properties of (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol?
(4-methyl-5-methylsulfanyl-2-pyridinyl)methanol has a molecular weight of 169.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-methylsulfanyl-2-pyridinyl)methanol is sourced from PubChem (CID 171157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).