2-ethylsulfanyl-1-methoxypropane

C6H14OS — CID 126992573

IUPAC2-ethylsulfanyl-1-methoxypropane
SMILESCCSC(C)COC
InChIInChI=1S/C6H14OS/c1-4-8-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyRIWITWUBRLKFTN-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.77
Rot. Bonds4

About 2-ethylsulfanyl-1-methoxypropane

2-ethylsulfanyl-1-methoxypropane (PubChem CID 126992573) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-methoxypropane.

Molecular Properties

Compound Name2-ethylsulfanyl-1-methoxypropane
PubChem CID126992573
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name2-ethylsulfanyl-1-methoxypropane
SMILESCCSC(C)COC
InChIInChI=1S/C6H14OS/c1-4-8-6(2)5-7-3/h6H,4-5H2,1-3H3
InChIKeyRIWITWUBRLKFTN-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-methylsulfanylpropane
CID 130750240
2-ethylsulfanylbutane
CID 521270
3-(1-methoxypropan-2-ylsulfanyl)propan-1-ol
CID 66129136
3-(1-methoxypropan-2-ylsulfanyl)-2-methylpropan-1-ol
CID 66104725
2-ethylsulfanyl-1-methylsulfanylpropane
CID 86127985
2-(1-methoxypropan-2-ylsulfanyl)propan-1-amine
CID 66244570
(3S)-3-(methoxymethyl)-2-methylpentane
CID 171658474
ethane;3-(methoxymethyl)-2-methylpentane
CID 142448255
1-methoxypropan-2-ol;propane
CID 159966080
methane;1-methoxy-2-methylbutane
CID 159281556
1-methoxy-2-methyldecane
CID 13444249
ethane;1-methoxy-2-methylbutane;propane
CID 143686071

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-methoxypropane?
The IUPAC name of 2-ethylsulfanyl-1-methoxypropane (CID 126992573) is 2-ethylsulfanyl-1-methoxypropane.
What is the SMILES notation for 2-ethylsulfanyl-1-methoxypropane?
The canonical SMILES for 2-ethylsulfanyl-1-methoxypropane is CCSC(C)COC.
What is the InChIKey of 2-ethylsulfanyl-1-methoxypropane?
The InChIKey is RIWITWUBRLKFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-4-8-6(2)5-7-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1-methoxypropane?
2-ethylsulfanyl-1-methoxypropane has a molecular weight of 134.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-methoxypropane is sourced from PubChem (CID 126992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).