ethane;3-ethylsulfanyl-2-methylpyridine

C10H17NS — CID 142913740

IUPACethane;3-ethylsulfanyl-2-methylpyridine
SMILESCC.CCSc1cccnc1C
InChIInChI=1S/C8H11NS.C2H6/c1-3-10-8-5-4-6-9-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyHUFGMYSUZASJAN-UHFFFAOYSA-N
MW183.32 g/mol
LogP3.53
Rot. Bonds2

About ethane;3-ethylsulfanyl-2-methylpyridine

ethane;3-ethylsulfanyl-2-methylpyridine (PubChem CID 142913740) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is ethane;3-ethylsulfanyl-2-methylpyridine.

Molecular Properties

Compound Nameethane;3-ethylsulfanyl-2-methylpyridine
PubChem CID142913740
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Nameethane;3-ethylsulfanyl-2-methylpyridine
SMILESCC.CCSc1cccnc1C
InChIInChI=1S/C8H11NS.C2H6/c1-3-10-8-5-4-6-9-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyHUFGMYSUZASJAN-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
1-(3-ethylsulfanyl-2-pyridinyl)ethanol
CID 145375524
N-[(2-methyl-3-pyridinyl)sulfanyl]methanamine
CID 143294917
1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668
ethane;3-ethyl-2-methylpyridine
CID 143071594
(Z)-3-fluoro-4-[(2-methyl-3-pyridinyl)sulfanyl]but-2-en-1-amine
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CID 10848255
ethane;1,5-naphthyridine;propane
CID 142434189
bis(2,3-dimethylpyridine);ethane
CID 159594018
ethane;3-heptan-4-yl-2-methylpyridine
CID 143825065
2-methyl-3-nitrosulfanylpyridine
CID 141378836
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylsulfanyl-2-methylpyridine?
The IUPAC name of ethane;3-ethylsulfanyl-2-methylpyridine (CID 142913740) is ethane;3-ethylsulfanyl-2-methylpyridine.
What is the SMILES notation for ethane;3-ethylsulfanyl-2-methylpyridine?
The canonical SMILES for ethane;3-ethylsulfanyl-2-methylpyridine is CC.CCSc1cccnc1C.
What is the InChIKey of ethane;3-ethylsulfanyl-2-methylpyridine?
The InChIKey is HUFGMYSUZASJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS.C2H6/c1-3-10-8-5-4-6-9-7(8)2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethylsulfanyl-2-methylpyridine?
ethane;3-ethylsulfanyl-2-methylpyridine has a molecular weight of 183.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylsulfanyl-2-methylpyridine is sourced from PubChem (CID 142913740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).