4-ethylthian-4-ol

C7H14OS — CID 83681865

IUPAC4-ethylthian-4-ol
SMILESCCC1(O)CCSCC1
InChIInChI=1S/C7H14OS/c1-2-7(8)3-5-9-6-4-7/h8H,2-6H2,1H3
InChIKeyMQUGLRINFQDYCR-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds1

About 4-ethylthian-4-ol

4-ethylthian-4-ol (PubChem CID 83681865) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 4-ethylthian-4-ol.

Molecular Properties

Compound Name4-ethylthian-4-ol
PubChem CID83681865
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name4-ethylthian-4-ol
SMILESCCC1(O)CCSCC1
InChIInChI=1S/C7H14OS/c1-2-7(8)3-5-9-6-4-7/h8H,2-6H2,1H3
InChIKeyMQUGLRINFQDYCR-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-ethylthian-4-ol?
The IUPAC name of 4-ethylthian-4-ol (CID 83681865) is 4-ethylthian-4-ol.
What is the SMILES notation for 4-ethylthian-4-ol?
The canonical SMILES for 4-ethylthian-4-ol is CCC1(O)CCSCC1.
What is the InChIKey of 4-ethylthian-4-ol?
The InChIKey is MQUGLRINFQDYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-7(8)3-5-9-6-4-7/h8H,2-6H2,1H3.
What are the key properties of 4-ethylthian-4-ol?
4-ethylthian-4-ol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthian-4-ol is sourced from PubChem (CID 83681865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).