2-(thietan-3-yl)propan-2-ol

C6H12OS — CID 67527453

IUPAC2-(thietan-3-yl)propan-2-ol
SMILESCC(C)(O)C1CSC1
InChIInChI=1S/C6H12OS/c1-6(2,7)5-3-8-4-5/h5,7H,3-4H2,1-2H3
InChIKeyCPSTXSMBUOYQGU-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds1

About 2-(thietan-3-yl)propan-2-ol

2-(thietan-3-yl)propan-2-ol (PubChem CID 67527453) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-(thietan-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(thietan-3-yl)propan-2-ol
PubChem CID67527453
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-(thietan-3-yl)propan-2-ol
SMILESCC(C)(O)C1CSC1
InChIInChI=1S/C6H12OS/c1-6(2,7)5-3-8-4-5/h5,7H,3-4H2,1-2H3
InChIKeyCPSTXSMBUOYQGU-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thietan-3-yl)propan-2-ol?
The IUPAC name of 2-(thietan-3-yl)propan-2-ol (CID 67527453) is 2-(thietan-3-yl)propan-2-ol.
What is the SMILES notation for 2-(thietan-3-yl)propan-2-ol?
The canonical SMILES for 2-(thietan-3-yl)propan-2-ol is CC(C)(O)C1CSC1.
What is the InChIKey of 2-(thietan-3-yl)propan-2-ol?
The InChIKey is CPSTXSMBUOYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(2,7)5-3-8-4-5/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-(thietan-3-yl)propan-2-ol?
2-(thietan-3-yl)propan-2-ol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thietan-3-yl)propan-2-ol is sourced from PubChem (CID 67527453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).