(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol

C7H13FOS — CID 118119109

IUPAC(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
SMILESCC[C@H]1SC(O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C7H13FOS/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6+,7?/m1/s1
InChIKeyBIUGGXMPOZYYSG-FTFTVQOISA-N
MW164.24 g/mol
LogP1.80
Rot. Bonds1

About (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol

(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol (PubChem CID 118119109) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol.

Molecular Properties

Compound Name(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
PubChem CID118119109
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
SMILESCC[C@H]1SC(O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C7H13FOS/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6+,7?/m1/s1
InChIKeyBIUGGXMPOZYYSG-FTFTVQOISA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol?
The IUPAC name of (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol (CID 118119109) is (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol.
What is the SMILES notation for (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol?
The canonical SMILES for (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol is CC[C@H]1SC(O)[C@@H](F)[C@@H]1C.
What is the InChIKey of (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol?
The InChIKey is BIUGGXMPOZYYSG-FTFTVQOISA-N. The full InChI is InChI=1S/C7H13FOS/c1-3-5-4(2)6(8)7(9)10-5/h4-7,9H,3H2,1-2H3/t4-,5-,6+,7?/m1/s1.
What are the key properties of (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol?
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol has a molecular weight of 164.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol is sourced from PubChem (CID 118119109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).