[(2R)-oxolan-2-yl]methanethiol

C5H10OS — CID 40521332

IUPAC[(2R)-oxolan-2-yl]methanethiol
SMILESSC[C@H]1CCCO1
InChIInChI=1S/C5H10OS/c7-4-5-2-1-3-6-5/h5,7H,1-4H2/t5-/m1/s1
InChIKeyHZEQZXCNBJSQCS-RXMQYKEDSA-N
MW118.20 g/mol
LogP1.10
Rot. Bonds1

About [(2R)-oxolan-2-yl]methanethiol

[(2R)-oxolan-2-yl]methanethiol (PubChem CID 40521332) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methanethiol.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methanethiol
PubChem CID40521332
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name[(2R)-oxolan-2-yl]methanethiol
SMILESSC[C@H]1CCCO1
InChIInChI=1S/C5H10OS/c7-4-5-2-1-3-6-5/h5,7H,1-4H2/t5-/m1/s1
InChIKeyHZEQZXCNBJSQCS-RXMQYKEDSA-N
XLogP1.10
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [(2R)-oxolan-2-yl]methanethiol?
The IUPAC name of [(2R)-oxolan-2-yl]methanethiol (CID 40521332) is [(2R)-oxolan-2-yl]methanethiol.
What is the SMILES notation for [(2R)-oxolan-2-yl]methanethiol?
The canonical SMILES for [(2R)-oxolan-2-yl]methanethiol is SC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methanethiol?
The InChIKey is HZEQZXCNBJSQCS-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10OS/c7-4-5-2-1-3-6-5/h5,7H,1-4H2/t5-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methanethiol?
[(2R)-oxolan-2-yl]methanethiol has a molecular weight of 118.20 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methanethiol is sourced from PubChem (CID 40521332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).