2-methyl-3-pyridin-2-ylbenzenethiol

C12H11NS — CID 66915624

IUPAC2-methyl-3-pyridin-2-ylbenzenethiol
SMILESCc1c(S)cccc1-c1ccccn1
InChIInChI=1S/C12H11NS/c1-9-10(5-4-7-12(9)14)11-6-2-3-8-13-11/h2-8,14H,1H3
InChIKeyYQNLBXROXFOSQX-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.35
Rot. Bonds1

About 2-methyl-3-pyridin-2-ylbenzenethiol

2-methyl-3-pyridin-2-ylbenzenethiol (PubChem CID 66915624) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-methyl-3-pyridin-2-ylbenzenethiol.

Molecular Properties

Compound Name2-methyl-3-pyridin-2-ylbenzenethiol
PubChem CID66915624
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-methyl-3-pyridin-2-ylbenzenethiol
SMILESCc1c(S)cccc1-c1ccccn1
InChIInChI=1S/C12H11NS/c1-9-10(5-4-7-12(9)14)11-6-2-3-8-13-11/h2-8,14H,1H3
InChIKeyYQNLBXROXFOSQX-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
5-Ethyl-2-methylpyridine
CID 7728
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
3-Methylisoquinoline
CID 14306
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
2-Ethyl-5-methylpyridine
CID 519519
5-Hexyl-2-methyl pyridine
CID 522401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-2-ylbenzenethiol?
The IUPAC name of 2-methyl-3-pyridin-2-ylbenzenethiol (CID 66915624) is 2-methyl-3-pyridin-2-ylbenzenethiol.
What is the SMILES notation for 2-methyl-3-pyridin-2-ylbenzenethiol?
The canonical SMILES for 2-methyl-3-pyridin-2-ylbenzenethiol is Cc1c(S)cccc1-c1ccccn1.
What is the InChIKey of 2-methyl-3-pyridin-2-ylbenzenethiol?
The InChIKey is YQNLBXROXFOSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-9-10(5-4-7-12(9)14)11-6-2-3-8-13-11/h2-8,14H,1H3.
What are the key properties of 2-methyl-3-pyridin-2-ylbenzenethiol?
2-methyl-3-pyridin-2-ylbenzenethiol has a molecular weight of 201.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-2-ylbenzenethiol is sourced from PubChem (CID 66915624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).