2-propan-2-ylthiolan-3-ol

C7H14OS — CID 18410256

IUPAC2-propan-2-ylthiolan-3-ol
SMILESCC(C)C1SCCC1O
InChIInChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyYRSVLBJDQCGDGH-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds1

About 2-propan-2-ylthiolan-3-ol

2-propan-2-ylthiolan-3-ol (PubChem CID 18410256) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-propan-2-ylthiolan-3-ol.

Molecular Properties

Compound Name2-propan-2-ylthiolan-3-ol
PubChem CID18410256
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-propan-2-ylthiolan-3-ol
SMILESCC(C)C1SCCC1O
InChIInChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3
InChIKeyYRSVLBJDQCGDGH-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiolan-3-ol?
The IUPAC name of 2-propan-2-ylthiolan-3-ol (CID 18410256) is 2-propan-2-ylthiolan-3-ol.
What is the SMILES notation for 2-propan-2-ylthiolan-3-ol?
The canonical SMILES for 2-propan-2-ylthiolan-3-ol is CC(C)C1SCCC1O.
What is the InChIKey of 2-propan-2-ylthiolan-3-ol?
The InChIKey is YRSVLBJDQCGDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylthiolan-3-ol?
2-propan-2-ylthiolan-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiolan-3-ol is sourced from PubChem (CID 18410256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).