(4S,5R)-5-ethyl-4-methylthiolan-2-ol

C7H14OS — CID 118119174

IUPAC(4S,5R)-5-ethyl-4-methylthiolan-2-ol
SMILESCC[C@H]1SC(O)C[C@@H]1C
InChIInChI=1S/C7H14OS/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyUDRSXAQUQAGTRF-GFCOJPQKSA-N
MW146.25 g/mol
LogP1.86
Rot. Bonds1

About (4S,5R)-5-ethyl-4-methylthiolan-2-ol

(4S,5R)-5-ethyl-4-methylthiolan-2-ol (PubChem CID 118119174) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (4S,5R)-5-ethyl-4-methylthiolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-5-ethyl-4-methylthiolan-2-ol
PubChem CID118119174
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(4S,5R)-5-ethyl-4-methylthiolan-2-ol
SMILESCC[C@H]1SC(O)C[C@@H]1C
InChIInChI=1S/C7H14OS/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyUDRSXAQUQAGTRF-GFCOJPQKSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-ethyl-4-methylthiolan-2-ol?
The IUPAC name of (4S,5R)-5-ethyl-4-methylthiolan-2-ol (CID 118119174) is (4S,5R)-5-ethyl-4-methylthiolan-2-ol.
What is the SMILES notation for (4S,5R)-5-ethyl-4-methylthiolan-2-ol?
The canonical SMILES for (4S,5R)-5-ethyl-4-methylthiolan-2-ol is CC[C@H]1SC(O)C[C@@H]1C.
What is the InChIKey of (4S,5R)-5-ethyl-4-methylthiolan-2-ol?
The InChIKey is UDRSXAQUQAGTRF-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-6-5(2)4-7(8)9-6/h5-8H,3-4H2,1-2H3/t5-,6+,7?/m0/s1.
What are the key properties of (4S,5R)-5-ethyl-4-methylthiolan-2-ol?
(4S,5R)-5-ethyl-4-methylthiolan-2-ol has a molecular weight of 146.25 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-ethyl-4-methylthiolan-2-ol is sourced from PubChem (CID 118119174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).