2-(2-methylphenyl)sulfanyloxane

C12H16OS — CID 3024121

IUPAC2-(2-methylphenyl)sulfanyloxane
SMILESCc1ccccc1SC1CCCCO1
InChIInChI=1S/C12H16OS/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyFASJGHIXLJLMTG-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.61
Rot. Bonds2

About 2-(2-methylphenyl)sulfanyloxane

2-(2-methylphenyl)sulfanyloxane (PubChem CID 3024121) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyloxane.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyloxane
PubChem CID3024121
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-(2-methylphenyl)sulfanyloxane
SMILESCc1ccccc1SC1CCCCO1
InChIInChI=1S/C12H16OS/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyFASJGHIXLJLMTG-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyloxane?
The IUPAC name of 2-(2-methylphenyl)sulfanyloxane (CID 3024121) is 2-(2-methylphenyl)sulfanyloxane.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyloxane?
The canonical SMILES for 2-(2-methylphenyl)sulfanyloxane is Cc1ccccc1SC1CCCCO1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyloxane?
The InChIKey is FASJGHIXLJLMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfanyloxane?
2-(2-methylphenyl)sulfanyloxane has a molecular weight of 208.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyloxane is sourced from PubChem (CID 3024121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).