2-methylsulfanyl-6-propylpyridine

C9H13NS — CID 57175788

IUPAC2-methylsulfanyl-6-propylpyridine
SMILESCCCc1cccc(SC)n1
InChIInChI=1S/C9H13NS/c1-3-5-8-6-4-7-9(10-8)11-2/h4,6-7H,3,5H2,1-2H3
InChIKeyRLEUACRJEZFUOV-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.76
Rot. Bonds3

About 2-methylsulfanyl-6-propylpyridine

2-methylsulfanyl-6-propylpyridine (PubChem CID 57175788) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methylsulfanyl-6-propylpyridine.

Molecular Properties

Compound Name2-methylsulfanyl-6-propylpyridine
PubChem CID57175788
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methylsulfanyl-6-propylpyridine
SMILESCCCc1cccc(SC)n1
InChIInChI=1S/C9H13NS/c1-3-5-8-6-4-7-9(10-8)11-2/h4,6-7H,3,5H2,1-2H3
InChIKeyRLEUACRJEZFUOV-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-propylpyridine?
The IUPAC name of 2-methylsulfanyl-6-propylpyridine (CID 57175788) is 2-methylsulfanyl-6-propylpyridine.
What is the SMILES notation for 2-methylsulfanyl-6-propylpyridine?
The canonical SMILES for 2-methylsulfanyl-6-propylpyridine is CCCc1cccc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-6-propylpyridine?
The InChIKey is RLEUACRJEZFUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-5-8-6-4-7-9(10-8)11-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfanyl-6-propylpyridine?
2-methylsulfanyl-6-propylpyridine has a molecular weight of 167.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-propylpyridine is sourced from PubChem (CID 57175788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).