thiocan-5-ol

C7H14OS — CID 546890

IUPACthiocan-5-ol
SMILESOC1CCCSCCC1
InChIInChI=1S/C7H14OS/c8-7-3-1-5-9-6-2-4-7/h7-8H,1-6H2
InChIKeyLNRLJXJDZPCQJU-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds

About thiocan-5-ol

thiocan-5-ol (PubChem CID 546890) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is thiocan-5-ol.

Molecular Properties

Compound Namethiocan-5-ol
PubChem CID546890
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Namethiocan-5-ol
SMILESOC1CCCSCCC1
InChIInChI=1S/C7H14OS/c8-7-3-1-5-9-6-2-4-7/h7-8H,1-6H2
InChIKeyLNRLJXJDZPCQJU-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiocan-5-ol?
The IUPAC name of thiocan-5-ol (CID 546890) is thiocan-5-ol.
What is the SMILES notation for thiocan-5-ol?
The canonical SMILES for thiocan-5-ol is OC1CCCSCCC1.
What is the InChIKey of thiocan-5-ol?
The InChIKey is LNRLJXJDZPCQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c8-7-3-1-5-9-6-2-4-7/h7-8H,1-6H2.
What are the key properties of thiocan-5-ol?
thiocan-5-ol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiocan-5-ol is sourced from PubChem (CID 546890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).