5-ethyl-1,4-dithian-2-ol

C6H12OS2 — CID 58105841

IUPAC5-ethyl-1,4-dithian-2-ol
SMILESCCC1CSC(O)CS1
InChIInChI=1S/C6H12OS2/c1-2-5-3-9-6(7)4-8-5/h5-7H,2-4H2,1H3
InChIKeyQWCRYFBRNZJQIY-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.56
Rot. Bonds1

About 5-ethyl-1,4-dithian-2-ol

5-ethyl-1,4-dithian-2-ol (PubChem CID 58105841) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-ethyl-1,4-dithian-2-ol.

Molecular Properties

Compound Name5-ethyl-1,4-dithian-2-ol
PubChem CID58105841
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name5-ethyl-1,4-dithian-2-ol
SMILESCCC1CSC(O)CS1
InChIInChI=1S/C6H12OS2/c1-2-5-3-9-6(7)4-8-5/h5-7H,2-4H2,1H3
InChIKeyQWCRYFBRNZJQIY-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-diethyl-1,4-dithian-2-ol
CID 58105778
2,5-diethyl-1,4-dithiane;3-(prop-2-enyldisulfanyl)prop-1-ene
CID 158435421
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
(4S,5S)-thiane-2,4,5-triol
CID 13309262
2-[2,2-bis(thiiran-2-ylmethyl)butyl]thiirane
CID 87707092
(2R)-2-ethylthiolane
CID 643409
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
6-ethyl-2,3-dimethylthian-4-ol
CID 3430060
3-ethyl-2,3,5,6,7,8-hexahydro-1,4-benzodithiine
CID 70470740
2-(methoxymethyl)thiirane
CID 29837
[(2R,4R)-2-propyl-1,3-dithiolan-4-yl]methanol
CID 71410701
[2-[4-(4-ethyl-1,3-dithiolan-2-yl)phenyl]-1,3-dithiolan-4-yl]methanethiol
CID 163734629

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dithian-2-ol?
The IUPAC name of 5-ethyl-1,4-dithian-2-ol (CID 58105841) is 5-ethyl-1,4-dithian-2-ol.
What is the SMILES notation for 5-ethyl-1,4-dithian-2-ol?
The canonical SMILES for 5-ethyl-1,4-dithian-2-ol is CCC1CSC(O)CS1.
What is the InChIKey of 5-ethyl-1,4-dithian-2-ol?
The InChIKey is QWCRYFBRNZJQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c1-2-5-3-9-6(7)4-8-5/h5-7H,2-4H2,1H3.
What are the key properties of 5-ethyl-1,4-dithian-2-ol?
5-ethyl-1,4-dithian-2-ol has a molecular weight of 164.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dithian-2-ol is sourced from PubChem (CID 58105841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).