ethane;4-(2-methylsulfanylethyl)pyridine

C12H23NS — CID 166136938

IUPACethane;4-(2-methylsulfanylethyl)pyridine
SMILESCC.CC.CSCCc1ccncc1
InChIInChI=1S/C8H11NS.2C2H6/c1-10-7-4-8-2-5-9-6-3-8;2*1-2/h2-3,5-6H,4,7H2,1H3;2*1-2H3
InChIKeyQICOOFOYUMFEEN-UHFFFAOYSA-N
MW213.39 g/mol
LogP4.04
Rot. Bonds3

About ethane;4-(2-methylsulfanylethyl)pyridine

ethane;4-(2-methylsulfanylethyl)pyridine (PubChem CID 166136938) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is ethane;4-(2-methylsulfanylethyl)pyridine.

Molecular Properties

Compound Nameethane;4-(2-methylsulfanylethyl)pyridine
PubChem CID166136938
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Nameethane;4-(2-methylsulfanylethyl)pyridine
SMILESCC.CC.CSCCc1ccncc1
InChIInChI=1S/C8H11NS.2C2H6/c1-10-7-4-8-2-5-9-6-3-8;2*1-2/h2-3,5-6H,4,7H2,1H3;2*1-2H3
InChIKeyQICOOFOYUMFEEN-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylsulfanylethyl)pyridine
CID 2255980
4-(2-methoxysulfanylethyl)pyridine
CID 144565327
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
CID 92969622
4-(2-hydroperoxysulfanylethyl)pyridine
CID 58942791
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
CID 105160708
2-pyridin-4-ylethylsulfanylformic acid
CID 174570931
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
CID 66231916
ethane;4-ethylpyridine
CID 142005045

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylsulfanylethyl)pyridine?
The IUPAC name of ethane;4-(2-methylsulfanylethyl)pyridine (CID 166136938) is ethane;4-(2-methylsulfanylethyl)pyridine.
What is the SMILES notation for ethane;4-(2-methylsulfanylethyl)pyridine?
The canonical SMILES for ethane;4-(2-methylsulfanylethyl)pyridine is CC.CC.CSCCc1ccncc1.
What is the InChIKey of ethane;4-(2-methylsulfanylethyl)pyridine?
The InChIKey is QICOOFOYUMFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.2C2H6/c1-10-7-4-8-2-5-9-6-3-8;2*1-2/h2-3,5-6H,4,7H2,1H3;2*1-2H3.
What are the key properties of ethane;4-(2-methylsulfanylethyl)pyridine?
ethane;4-(2-methylsulfanylethyl)pyridine has a molecular weight of 213.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylsulfanylethyl)pyridine is sourced from PubChem (CID 166136938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).