(3-pyridin-4-ylsulfanylphenyl)methanol

C12H11NOS — CID 69248622

IUPAC(3-pyridin-4-ylsulfanylphenyl)methanol
SMILESOCc1cccc(Sc2ccncc2)c1
InChIInChI=1S/C12H11NOS/c14-9-10-2-1-3-12(8-10)15-11-4-6-13-7-5-11/h1-8,14H,9H2
InChIKeyDYLHUKMWPNMFAT-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.73
Rot. Bonds3

About (3-pyridin-4-ylsulfanylphenyl)methanol

(3-pyridin-4-ylsulfanylphenyl)methanol (PubChem CID 69248622) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is (3-pyridin-4-ylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(3-pyridin-4-ylsulfanylphenyl)methanol
PubChem CID69248622
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name(3-pyridin-4-ylsulfanylphenyl)methanol
SMILESOCc1cccc(Sc2ccncc2)c1
InChIInChI=1S/C12H11NOS/c14-9-10-2-1-3-12(8-10)15-11-4-6-13-7-5-11/h1-8,14H,9H2
InChIKeyDYLHUKMWPNMFAT-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-ylsulfanylphenyl)methanol?
The IUPAC name of (3-pyridin-4-ylsulfanylphenyl)methanol (CID 69248622) is (3-pyridin-4-ylsulfanylphenyl)methanol.
What is the SMILES notation for (3-pyridin-4-ylsulfanylphenyl)methanol?
The canonical SMILES for (3-pyridin-4-ylsulfanylphenyl)methanol is OCc1cccc(Sc2ccncc2)c1.
What is the InChIKey of (3-pyridin-4-ylsulfanylphenyl)methanol?
The InChIKey is DYLHUKMWPNMFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c14-9-10-2-1-3-12(8-10)15-11-4-6-13-7-5-11/h1-8,14H,9H2.
What are the key properties of (3-pyridin-4-ylsulfanylphenyl)methanol?
(3-pyridin-4-ylsulfanylphenyl)methanol has a molecular weight of 217.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-ylsulfanylphenyl)methanol is sourced from PubChem (CID 69248622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).