(2,2-dimethylthiolan-3-yl)methanol

C7H14OS — CID 12760971

IUPAC(2,2-dimethylthiolan-3-yl)methanol
SMILESCC1(C)SCCC1CO
InChIInChI=1S/C7H14OS/c1-7(2)6(5-8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKeyGFDWLEXEMUNQLX-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.51
Rot. Bonds1

About (2,2-dimethylthiolan-3-yl)methanol

(2,2-dimethylthiolan-3-yl)methanol (PubChem CID 12760971) has the molecular formula C7H14OS and a molecular weight of 146.26 g/mol. Its IUPAC name is (2,2-dimethylthiolan-3-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylthiolan-3-yl)methanol
PubChem CID12760971
Molecular FormulaC7H14OS
Molecular Weight146.26 g/mol
Exact Mass146.08
IUPAC Name(2,2-dimethylthiolan-3-yl)methanol
SMILESCC1(C)SCCC1CO
InChIInChI=1S/C7H14OS/c1-7(2)6(5-8)3-4-9-7/h6,8H,3-5H2,1-2H3
InChIKeyGFDWLEXEMUNQLX-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 ≤ 500146.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiolan-3-yl)methanol?
The IUPAC name of (2,2-dimethylthiolan-3-yl)methanol (CID 12760971) is (2,2-dimethylthiolan-3-yl)methanol.
What is the SMILES notation for (2,2-dimethylthiolan-3-yl)methanol?
The canonical SMILES for (2,2-dimethylthiolan-3-yl)methanol is CC1(C)SCCC1CO.
What is the InChIKey of (2,2-dimethylthiolan-3-yl)methanol?
The InChIKey is GFDWLEXEMUNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(2)6(5-8)3-4-9-7/h6,8H,3-5H2,1-2H3.
What are the key properties of (2,2-dimethylthiolan-3-yl)methanol?
(2,2-dimethylthiolan-3-yl)methanol has a molecular weight of 146.26 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 (2,2-dimethylthiolan-3-yl)methanol is sourced from PubChem (CID 12760971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).