1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol

C9H13NOS — CID 102546555

IUPAC1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(SC)nc1
InChIInChI=1S/C9H13NOS/c1-3-8(11)7-4-5-9(12-2)10-6-7/h4-6,8,11H,3H2,1-2H3
InChIKeyNIDNPMMEJFEYIE-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol

1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol (PubChem CID 102546555) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
PubChem CID102546555
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
SMILESCCC(O)c1ccc(SC)nc1
InChIInChI=1S/C9H13NOS/c1-3-8(11)7-4-5-9(12-2)10-6-7/h4-6,8,11H,3H2,1-2H3
InChIKeyNIDNPMMEJFEYIE-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol?
The IUPAC name of 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol (CID 102546555) is 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol is CCC(O)c1ccc(SC)nc1.
What is the InChIKey of 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol?
The InChIKey is NIDNPMMEJFEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-8(11)7-4-5-9(12-2)10-6-7/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol?
1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol has a molecular weight of 183.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 102546555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).