(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol

C14H15NO2S — CID 162411298

IUPAC(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2ccc(SC)cc2)cn1
InChIInChI=1S/C14H15NO2S/c1-17-13-8-5-11(9-15-13)14(16)10-3-6-12(18-2)7-4-10/h3-9,14,16H,1-2H3/t14-/m0/s1
InChIKeyPTSYZEXJEGCGIS-AWEZNQCLSA-N
MW261.35 g/mol
LogP2.89
Rot. Bonds4

About (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol

(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol (PubChem CID 162411298) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol
PubChem CID162411298
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1ccc([C@@H](O)c2ccc(SC)cc2)cn1
InChIInChI=1S/C14H15NO2S/c1-17-13-8-5-11(9-15-13)14(16)10-3-6-12(18-2)7-4-10/h3-9,14,16H,1-2H3/t14-/m0/s1
InChIKeyPTSYZEXJEGCGIS-AWEZNQCLSA-N
XLogP2.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol (CID 162411298) is (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol is COc1ccc([C@@H](O)c2ccc(SC)cc2)cn1.
What is the InChIKey of (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is PTSYZEXJEGCGIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-13-8-5-11(9-15-13)14(16)10-3-6-12(18-2)7-4-10/h3-9,14,16H,1-2H3/t14-/m0/s1.
What are the key properties of (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol?
(S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 261.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-methoxy-3-pyridinyl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 162411298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).