(2S)-2-ethyloxolane-3-thiol;methanol

C7H16O2S — CID 142092123

IUPAC(2S)-2-ethyloxolane-3-thiol;methanol
SMILESCC[C@@H]1OCCC1S.CO
InChIInChI=1S/C6H12OS.CH4O/c1-2-5-6(8)3-4-7-5;1-2/h5-6,8H,2-4H2,1H3;2H,1H3/t5-,6?;/m0./s1
InChIKeyNTKRCMQWHPPBQY-GNVLWMSISA-N
MW164.27 g/mol
LogP1.09
Rot. Bonds1

About (2S)-2-ethyloxolane-3-thiol;methanol

(2S)-2-ethyloxolane-3-thiol;methanol (PubChem CID 142092123) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is (2S)-2-ethyloxolane-3-thiol;methanol.

Molecular Properties

Compound Name(2S)-2-ethyloxolane-3-thiol;methanol
PubChem CID142092123
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name(2S)-2-ethyloxolane-3-thiol;methanol
SMILESCC[C@@H]1OCCC1S.CO
InChIInChI=1S/C6H12OS.CH4O/c1-2-5-6(8)3-4-7-5;1-2/h5-6,8H,2-4H2,1H3;2H,1H3/t5-,6?;/m0./s1
InChIKeyNTKRCMQWHPPBQY-GNVLWMSISA-N
XLogP1.09
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyloxolane-3-thiol;methanol?
The IUPAC name of (2S)-2-ethyloxolane-3-thiol;methanol (CID 142092123) is (2S)-2-ethyloxolane-3-thiol;methanol.
What is the SMILES notation for (2S)-2-ethyloxolane-3-thiol;methanol?
The canonical SMILES for (2S)-2-ethyloxolane-3-thiol;methanol is CC[C@@H]1OCCC1S.CO.
What is the InChIKey of (2S)-2-ethyloxolane-3-thiol;methanol?
The InChIKey is NTKRCMQWHPPBQY-GNVLWMSISA-N. The full InChI is InChI=1S/C6H12OS.CH4O/c1-2-5-6(8)3-4-7-5;1-2/h5-6,8H,2-4H2,1H3;2H,1H3/t5-,6?;/m0./s1.
What are the key properties of (2S)-2-ethyloxolane-3-thiol;methanol?
(2S)-2-ethyloxolane-3-thiol;methanol has a molecular weight of 164.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyloxolane-3-thiol;methanol is sourced from PubChem (CID 142092123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).