2-(phenylsulfanylmethyl)oxolane

C11H14OS — CID 3337920

IUPAC2-(phenylsulfanylmethyl)oxolane
SMILESc1ccc(SCC2CCCO2)cc1
InChIInChI=1S/C11H14OS/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h1-3,6-7,10H,4-5,8-9H2
InChIKeyBVARCEWAKNFRCH-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.96
Rot. Bonds3

About 2-(phenylsulfanylmethyl)oxolane

2-(phenylsulfanylmethyl)oxolane (PubChem CID 3337920) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)oxolane
PubChem CID3337920
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-(phenylsulfanylmethyl)oxolane
SMILESc1ccc(SCC2CCCO2)cc1
InChIInChI=1S/C11H14OS/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h1-3,6-7,10H,4-5,8-9H2
InChIKeyBVARCEWAKNFRCH-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)oxolane?
The IUPAC name of 2-(phenylsulfanylmethyl)oxolane (CID 3337920) is 2-(phenylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(phenylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(phenylsulfanylmethyl)oxolane is c1ccc(SCC2CCCO2)cc1.
What is the InChIKey of 2-(phenylsulfanylmethyl)oxolane?
The InChIKey is BVARCEWAKNFRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-2-6-11(7-3-1)13-9-10-5-4-8-12-10/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-(phenylsulfanylmethyl)oxolane?
2-(phenylsulfanylmethyl)oxolane has a molecular weight of 194.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)oxolane is sourced from PubChem (CID 3337920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).