5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine

C6H10O2S — CID 89175199

IUPAC5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine
SMILESCSCC1=COCCO1
InChIInChI=1S/C6H10O2S/c1-9-5-6-4-7-2-3-8-6/h4H,2-3,5H2,1H3
InChIKeyVNVZZLSNJUDDTF-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.24
Rot. Bonds2

About 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine

5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine (PubChem CID 89175199) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine
PubChem CID89175199
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine
SMILESCSCC1=COCCO1
InChIInChI=1S/C6H10O2S/c1-9-5-6-4-7-2-3-8-6/h4H,2-3,5H2,1H3
InChIKeyVNVZZLSNJUDDTF-UHFFFAOYSA-N
XLogP1.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine (CID 89175199) is 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine is CSCC1=COCCO1.
What is the InChIKey of 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is VNVZZLSNJUDDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-9-5-6-4-7-2-3-8-6/h4H,2-3,5H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine?
5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 146.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 89175199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).