3-methylsulfanyl-2-propan-2-ylpyridine

C9H13NS — CID 18741288

IUPAC3-methylsulfanyl-2-propan-2-ylpyridine
SMILESCSc1cccnc1C(C)C
InChIInChI=1S/C9H13NS/c1-7(2)9-8(11-3)5-4-6-10-9/h4-7H,1-3H3
InChIKeyAJIUHSJEBNRLCW-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.93
Rot. Bonds2

About 3-methylsulfanyl-2-propan-2-ylpyridine

3-methylsulfanyl-2-propan-2-ylpyridine (PubChem CID 18741288) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 3-methylsulfanyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-methylsulfanyl-2-propan-2-ylpyridine
PubChem CID18741288
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name3-methylsulfanyl-2-propan-2-ylpyridine
SMILESCSc1cccnc1C(C)C
InChIInChI=1S/C9H13NS/c1-7(2)9-8(11-3)5-4-6-10-9/h4-7H,1-3H3
InChIKeyAJIUHSJEBNRLCW-UHFFFAOYSA-N
XLogP2.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylsulfanyl-2-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-2-propan-2-ylpyridine?
The IUPAC name of 3-methylsulfanyl-2-propan-2-ylpyridine (CID 18741288) is 3-methylsulfanyl-2-propan-2-ylpyridine.
What is the SMILES notation for 3-methylsulfanyl-2-propan-2-ylpyridine?
The canonical SMILES for 3-methylsulfanyl-2-propan-2-ylpyridine is CSc1cccnc1C(C)C.
What is the InChIKey of 3-methylsulfanyl-2-propan-2-ylpyridine?
The InChIKey is AJIUHSJEBNRLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7(2)9-8(11-3)5-4-6-10-9/h4-7H,1-3H3.
What are the key properties of 3-methylsulfanyl-2-propan-2-ylpyridine?
3-methylsulfanyl-2-propan-2-ylpyridine has a molecular weight of 167.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-2-propan-2-ylpyridine is sourced from PubChem (CID 18741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).