2-(3-methyl-2-pyridinyl)benzenethiol

C12H11NS — CID 137155222

IUPAC2-(3-methyl-2-pyridinyl)benzenethiol
SMILESCc1cccnc1-c1ccccc1S
InChIInChI=1S/C12H11NS/c1-9-5-4-8-13-12(9)10-6-2-3-7-11(10)14/h2-8,14H,1H3
InChIKeyBRZOUWVEMSUHOY-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-methyl-2-pyridinyl)benzenethiol

2-(3-methyl-2-pyridinyl)benzenethiol (PubChem CID 137155222) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)benzenethiol.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)benzenethiol
PubChem CID137155222
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name2-(3-methyl-2-pyridinyl)benzenethiol
SMILESCc1cccnc1-c1ccccc1S
InChIInChI=1S/C12H11NS/c1-9-5-4-8-13-12(9)10-6-2-3-7-11(10)14/h2-8,14H,1H3
InChIKeyBRZOUWVEMSUHOY-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)benzenethiol?
The IUPAC name of 2-(3-methyl-2-pyridinyl)benzenethiol (CID 137155222) is 2-(3-methyl-2-pyridinyl)benzenethiol.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)benzenethiol?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)benzenethiol is Cc1cccnc1-c1ccccc1S.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)benzenethiol?
The InChIKey is BRZOUWVEMSUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-9-5-4-8-13-12(9)10-6-2-3-7-11(10)14/h2-8,14H,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)benzenethiol?
2-(3-methyl-2-pyridinyl)benzenethiol 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-(3-methyl-2-pyridinyl)benzenethiol is sourced from PubChem (CID 137155222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).