2-oxabicyclo[3.2.0]heptane-6-thiol

C6H10OS — CID 91499551

IUPAC2-oxabicyclo[3.2.0]heptane-6-thiol
SMILESSC1CC2OCCC12
InChIInChI=1S/C6H10OS/c8-6-3-5-4(6)1-2-7-5/h4-6,8H,1-3H2
InChIKeyFMXSSFMIEPNWCU-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.09
Rot. Bonds

About 2-oxabicyclo[3.2.0]heptane-6-thiol

2-oxabicyclo[3.2.0]heptane-6-thiol (PubChem CID 91499551) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-oxabicyclo[3.2.0]heptane-6-thiol.

Molecular Properties

Compound Name2-oxabicyclo[3.2.0]heptane-6-thiol
PubChem CID91499551
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-oxabicyclo[3.2.0]heptane-6-thiol
SMILESSC1CC2OCCC12
InChIInChI=1S/C6H10OS/c8-6-3-5-4(6)1-2-7-5/h4-6,8H,1-3H2
InChIKeyFMXSSFMIEPNWCU-UHFFFAOYSA-N
XLogP1.09
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.09
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 2-oxabicyclo[3.2.0]heptane-6-thiol?
The IUPAC name of 2-oxabicyclo[3.2.0]heptane-6-thiol (CID 91499551) is 2-oxabicyclo[3.2.0]heptane-6-thiol.
What is the SMILES notation for 2-oxabicyclo[3.2.0]heptane-6-thiol?
The canonical SMILES for 2-oxabicyclo[3.2.0]heptane-6-thiol is SC1CC2OCCC12.
What is the InChIKey of 2-oxabicyclo[3.2.0]heptane-6-thiol?
The InChIKey is FMXSSFMIEPNWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c8-6-3-5-4(6)1-2-7-5/h4-6,8H,1-3H2.
What are the key properties of 2-oxabicyclo[3.2.0]heptane-6-thiol?
2-oxabicyclo[3.2.0]heptane-6-thiol has a molecular weight of 130.21 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[3.2.0]heptane-6-thiol is sourced from PubChem (CID 91499551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).