2-(oxolan-3-yl)propane-2-thiol

C7H14OS — CID 126657698

IUPAC2-(oxolan-3-yl)propane-2-thiol
SMILESCC(C)(S)C1CCOC1
InChIInChI=1S/C7H14OS/c1-7(2,9)6-3-4-8-5-6/h6,9H,3-5H2,1-2H3
InChIKeyJYADAADMBFKXTD-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.73
Rot. Bonds1

About 2-(oxolan-3-yl)propane-2-thiol

2-(oxolan-3-yl)propane-2-thiol (PubChem CID 126657698) has the molecular formula C7H14OS and a molecular weight of 146.26 g/mol. Its IUPAC name is 2-(oxolan-3-yl)propane-2-thiol.

Molecular Properties

Compound Name2-(oxolan-3-yl)propane-2-thiol
PubChem CID126657698
Molecular FormulaC7H14OS
Molecular Weight146.26 g/mol
Exact Mass146.08
IUPAC Name2-(oxolan-3-yl)propane-2-thiol
SMILESCC(C)(S)C1CCOC1
InChIInChI=1S/C7H14OS/c1-7(2,9)6-3-4-8-5-6/h6,9H,3-5H2,1-2H3
InChIKeyJYADAADMBFKXTD-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
CID 130488152
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
CID 131113950
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
CID 66999978
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
4-(2-methylbutan-2-yl)oxane
CID 91527752
3-tert-butyloxolane;ethane;propan-2-ylcyclobutane
CID 160519713
4-tert-butyloxane;3-tert-butyloxetane;ethane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
CID 162123422
1-(oxolan-3-yl)-1-phenylethanamine
CID 63563026
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
CID 162060129
5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
CID 103035277

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)propane-2-thiol?
The IUPAC name of 2-(oxolan-3-yl)propane-2-thiol (CID 126657698) is 2-(oxolan-3-yl)propane-2-thiol.
What is the SMILES notation for 2-(oxolan-3-yl)propane-2-thiol?
The canonical SMILES for 2-(oxolan-3-yl)propane-2-thiol is CC(C)(S)C1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)propane-2-thiol?
The InChIKey is JYADAADMBFKXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(2,9)6-3-4-8-5-6/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-(oxolan-3-yl)propane-2-thiol?
2-(oxolan-3-yl)propane-2-thiol has a molecular weight of 146.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)propane-2-thiol is sourced from PubChem (CID 126657698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).