7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol

C11H18OS — CID 79330760

IUPAC7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(C2CCSC2)C2CCCCC21
InChIInChI=1S/C11H18OS/c12-11(8-5-6-13-7-8)9-3-1-2-4-10(9)11/h8-10,12H,1-7H2
InChIKeyRVTKHKFHWBOWRQ-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.29
Rot. Bonds1

About 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol

7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol (PubChem CID 79330760) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol.

Molecular Properties

Compound Name7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol
PubChem CID79330760
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol
SMILESOC1(C2CCSC2)C2CCCCC21
InChIInChI=1S/C11H18OS/c12-11(8-5-6-13-7-8)9-3-1-2-4-10(9)11/h8-10,12H,1-7H2
InChIKeyRVTKHKFHWBOWRQ-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol?
The IUPAC name of 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol (CID 79330760) is 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol.
What is the SMILES notation for 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol?
The canonical SMILES for 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol is OC1(C2CCSC2)C2CCCCC21.
What is the InChIKey of 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol?
The InChIKey is RVTKHKFHWBOWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c12-11(8-5-6-13-7-8)9-3-1-2-4-10(9)11/h8-10,12H,1-7H2.
What are the key properties of 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol?
7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol has a molecular weight of 198.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(thiolan-3-yl)bicyclo[4.1.0]heptan-7-ol is sourced from PubChem (CID 79330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).