thiepan-4-ol

C6H12OS — CID 13407577

IUPACthiepan-4-ol
SMILESOC1CCCSCC1
InChIInChI=1S/C6H12OS/c7-6-2-1-4-8-5-3-6/h6-7H,1-5H2
InChIKeyGHMMKUALOGLCOE-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds

About thiepan-4-ol

thiepan-4-ol (PubChem CID 13407577) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is thiepan-4-ol.

Molecular Properties

Compound Namethiepan-4-ol
PubChem CID13407577
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Namethiepan-4-ol
SMILESOC1CCCSCC1
InChIInChI=1S/C6H12OS/c7-6-2-1-4-8-5-3-6/h6-7H,1-5H2
InChIKeyGHMMKUALOGLCOE-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiepan-4-ol?
The IUPAC name of thiepan-4-ol (CID 13407577) is thiepan-4-ol.
What is the SMILES notation for thiepan-4-ol?
The canonical SMILES for thiepan-4-ol is OC1CCCSCC1.
What is the InChIKey of thiepan-4-ol?
The InChIKey is GHMMKUALOGLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c7-6-2-1-4-8-5-3-6/h6-7H,1-5H2.
What are the key properties of thiepan-4-ol?
thiepan-4-ol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiepan-4-ol is sourced from PubChem (CID 13407577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).