2-(methylsulfanylmethyl)oxane

C7H14OS — CID 13022885

IUPAC2-(methylsulfanylmethyl)oxane
SMILESCSCC1CCCCO1
InChIInChI=1S/C7H14OS/c1-9-6-7-4-2-3-5-8-7/h7H,2-6H2,1H3
InChIKeyBKWTZGJQZHGTMW-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds2

About 2-(methylsulfanylmethyl)oxane

2-(methylsulfanylmethyl)oxane (PubChem CID 13022885) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)oxane.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)oxane
PubChem CID13022885
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(methylsulfanylmethyl)oxane
SMILESCSCC1CCCCO1
InChIInChI=1S/C7H14OS/c1-9-6-7-4-2-3-5-8-7/h7H,2-6H2,1H3
InChIKeyBKWTZGJQZHGTMW-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)oxane?
The IUPAC name of 2-(methylsulfanylmethyl)oxane (CID 13022885) is 2-(methylsulfanylmethyl)oxane.
What is the SMILES notation for 2-(methylsulfanylmethyl)oxane?
The canonical SMILES for 2-(methylsulfanylmethyl)oxane is CSCC1CCCCO1.
What is the InChIKey of 2-(methylsulfanylmethyl)oxane?
The InChIKey is BKWTZGJQZHGTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-9-6-7-4-2-3-5-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)oxane?
2-(methylsulfanylmethyl)oxane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)oxane is sourced from PubChem (CID 13022885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).