(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol

C14H15NOS — CID 102544534

IUPAC(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
SMILESCSc1ncc(C(O)c2ccccc2)cc1C
InChIInChI=1S/C14H15NOS/c1-10-8-12(9-15-14(10)17-2)13(16)11-6-4-3-5-7-11/h3-9,13,16H,1-2H3
InChIKeyVPGVRMHSSLLPTE-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.19
Rot. Bonds3

About (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol

(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol (PubChem CID 102544534) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
PubChem CID102544534
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
SMILESCSc1ncc(C(O)c2ccccc2)cc1C
InChIInChI=1S/C14H15NOS/c1-10-8-12(9-15-14(10)17-2)13(16)11-6-4-3-5-7-11/h3-9,13,16H,1-2H3
InChIKeyVPGVRMHSSLLPTE-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol?
The IUPAC name of (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol (CID 102544534) is (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol.
What is the SMILES notation for (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol?
The canonical SMILES for (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol is CSc1ncc(C(O)c2ccccc2)cc1C.
What is the InChIKey of (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol?
The InChIKey is VPGVRMHSSLLPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-8-12(9-15-14(10)17-2)13(16)11-6-4-3-5-7-11/h3-9,13,16H,1-2H3.
What are the key properties of (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol?
(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol has a molecular weight of 245.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol is sourced from PubChem (CID 102544534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).