2-(2-methylthiolan-2-yl)ethanol

C7H14OS — CID 118437147

IUPAC2-(2-methylthiolan-2-yl)ethanol
SMILESCC1(CCO)CCCS1
InChIInChI=1S/C7H14OS/c1-7(4-5-8)3-2-6-9-7/h8H,2-6H2,1H3
InChIKeyLFZWDFYJYZXDGL-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(2-methylthiolan-2-yl)ethanol

2-(2-methylthiolan-2-yl)ethanol (PubChem CID 118437147) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methylthiolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylthiolan-2-yl)ethanol
PubChem CID118437147
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylthiolan-2-yl)ethanol
SMILESCC1(CCO)CCCS1
InChIInChI=1S/C7H14OS/c1-7(4-5-8)3-2-6-9-7/h8H,2-6H2,1H3
InChIKeyLFZWDFYJYZXDGL-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiolan-2-yl)ethanol?
The IUPAC name of 2-(2-methylthiolan-2-yl)ethanol (CID 118437147) is 2-(2-methylthiolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-methylthiolan-2-yl)ethanol?
The canonical SMILES for 2-(2-methylthiolan-2-yl)ethanol is CC1(CCO)CCCS1.
What is the InChIKey of 2-(2-methylthiolan-2-yl)ethanol?
The InChIKey is LFZWDFYJYZXDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(4-5-8)3-2-6-9-7/h8H,2-6H2,1H3.
What are the key properties of 2-(2-methylthiolan-2-yl)ethanol?
2-(2-methylthiolan-2-yl)ethanol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiolan-2-yl)ethanol is sourced from PubChem (CID 118437147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).