2-methylsulfanyl-3-propylpyridine

C9H13NS — CID 142155621

IUPAC2-methylsulfanyl-3-propylpyridine
SMILESCCCc1cccnc1SC
InChIInChI=1S/C9H13NS/c1-3-5-8-6-4-7-10-9(8)11-2/h4,6-7H,3,5H2,1-2H3
InChIKeyBDMGPLZRNBUDBZ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.76
Rot. Bonds3

About 2-methylsulfanyl-3-propylpyridine

2-methylsulfanyl-3-propylpyridine (PubChem CID 142155621) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methylsulfanyl-3-propylpyridine.

Molecular Properties

Compound Name2-methylsulfanyl-3-propylpyridine
PubChem CID142155621
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methylsulfanyl-3-propylpyridine
SMILESCCCc1cccnc1SC
InChIInChI=1S/C9H13NS/c1-3-5-8-6-4-7-10-9(8)11-2/h4,6-7H,3,5H2,1-2H3
InChIKeyBDMGPLZRNBUDBZ-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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Related Compounds

2-(2-methylsulfanyl-3-pyridinyl)ethanamine
CID 84765480
2,3-dipropylpyridine
CID 19593488
2-methyl-3-propylpyridine
CID 18662893
ethane;3-propylpyridin-2-amine
CID 176926436
3-propyl-2-(trifluoromethyl)pyridine
CID 19881646
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
3-(bromomethyl)-2-propylpyridine
CID 141230444
2,3-diethylpyridine
CID 14747123
2-[2-(disulfanyl)-3-pyridinyl]ethanol
CID 155663463
2-[2-methyl-3-[(2-methylsulfanyl-3-pyridinyl)methyl]-1,3-thiazol-3-ium-5-yl]ethanol
CID 11716683
ethane;3-ethenyl-2-methylsulfanylpyridine
CID 157029026

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-propylpyridine?
The IUPAC name of 2-methylsulfanyl-3-propylpyridine (CID 142155621) is 2-methylsulfanyl-3-propylpyridine.
What is the SMILES notation for 2-methylsulfanyl-3-propylpyridine?
The canonical SMILES for 2-methylsulfanyl-3-propylpyridine is CCCc1cccnc1SC.
What is the InChIKey of 2-methylsulfanyl-3-propylpyridine?
The InChIKey is BDMGPLZRNBUDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-5-8-6-4-7-10-9(8)11-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfanyl-3-propylpyridine?
2-methylsulfanyl-3-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-3-propylpyridine is sourced from PubChem (CID 142155621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).