1-(6-phenoxy-2-pyridinyl)ethanethiol

C13H13NOS — CID 13002991

IUPAC1-(6-phenoxy-2-pyridinyl)ethanethiol
SMILESCC(S)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-10(16)12-8-5-9-13(14-12)15-11-6-3-2-4-7-11/h2-10,16H,1H3
InChIKeyBFNWUPRGYCMUIC-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.86
Rot. Bonds3

About 1-(6-phenoxy-2-pyridinyl)ethanethiol

1-(6-phenoxy-2-pyridinyl)ethanethiol (PubChem CID 13002991) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(6-phenoxy-2-pyridinyl)ethanethiol.

Molecular Properties

Compound Name1-(6-phenoxy-2-pyridinyl)ethanethiol
PubChem CID13002991
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(6-phenoxy-2-pyridinyl)ethanethiol
SMILESCC(S)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C13H13NOS/c1-10(16)12-8-5-9-13(14-12)15-11-6-3-2-4-7-11/h2-10,16H,1H3
InChIKeyBFNWUPRGYCMUIC-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-phenoxy-6-(propan-2-yloxymethyl)pyridine
CID 154321381
2-ethyl-6-phenoxypyridine
CID 19828151
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
N-methyl-6-phenoxypyridin-2-amine
CID 58106895
S-[(1S)-1-(6-phenoxy-2-pyridinyl)ethyl] 2-(4-bromophenyl)-3-methylbutanethioate
CID 88771859
[2,2,2-trifluoro-1-(6-phenoxy-2-pyridinyl)ethyl] N-(1-phenylethyl)carbamate
CID 14074449
6-(4-propan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 62253003
[cyano-(6-phenoxy-2-pyridinyl)methyl] 2-anilino-3-methylbutanoate
CID 70590647
2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
CID 57138403
3-phenoxy-1,5-di(propan-2-yl)isoquinoline
CID 153460769
2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine
CID 58106766

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenoxy-2-pyridinyl)ethanethiol?
The IUPAC name of 1-(6-phenoxy-2-pyridinyl)ethanethiol (CID 13002991) is 1-(6-phenoxy-2-pyridinyl)ethanethiol.
What is the SMILES notation for 1-(6-phenoxy-2-pyridinyl)ethanethiol?
The canonical SMILES for 1-(6-phenoxy-2-pyridinyl)ethanethiol is CC(S)c1cccc(Oc2ccccc2)n1.
What is the InChIKey of 1-(6-phenoxy-2-pyridinyl)ethanethiol?
The InChIKey is BFNWUPRGYCMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10(16)12-8-5-9-13(14-12)15-11-6-3-2-4-7-11/h2-10,16H,1H3.
What are the key properties of 1-(6-phenoxy-2-pyridinyl)ethanethiol?
1-(6-phenoxy-2-pyridinyl)ethanethiol has a molecular weight of 231.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxy-2-pyridinyl)ethanethiol is sourced from PubChem (CID 13002991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).