1-(1,3,5-trithian-2-yl)ethanol

C5H10OS3 — CID 22891749

IUPAC1-(1,3,5-trithian-2-yl)ethanol
SMILESCC(O)C1SCSCS1
InChIInChI=1S/C5H10OS3/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3
InChIKeyOWXYUVGDRUDTBR-UHFFFAOYSA-N
MW182.33 g/mol
LogP1.82
Rot. Bonds1

About 1-(1,3,5-trithian-2-yl)ethanol

1-(1,3,5-trithian-2-yl)ethanol (PubChem CID 22891749) has the molecular formula C5H10OS3 and a molecular weight of 182.33 g/mol. Its IUPAC name is 1-(1,3,5-trithian-2-yl)ethanol.

Molecular Properties

Compound Name1-(1,3,5-trithian-2-yl)ethanol
PubChem CID22891749
Molecular FormulaC5H10OS3
Molecular Weight182.33 g/mol
Exact Mass181.99
IUPAC Name1-(1,3,5-trithian-2-yl)ethanol
SMILESCC(O)C1SCSCS1
InChIInChI=1S/C5H10OS3/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3
InChIKeyOWXYUVGDRUDTBR-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3,5-trithian-2-yl)ethanethiol
CID 174398696
1-(1,3-dithiolan-4-yl)ethanol
CID 174420309
3-propan-2-yl-1,2,4-trithiolane
CID 45096303
5-(1-hydroxyethyl)thiolan-3-one
CID 130038065
1-(azetidin-3-yl)ethanol;hydrochloride
CID 118703436
(4R)-4-methyl-1,3-dithiane
CID 101261915
1-(1,3-dithiolan-2-yl)-3-methylbutan-1-ol
CID 15535047
1,3,5,7-tetrathiocane-2-carboxylic acid
CID 1384497
1-hydroxyethyl-λ2-stannane
CID 174478945
1-[2-[[4-(1-hydroxyethyl)-1,3-dithiolan-2-yl]methylsulfanylmethylsulfanylmethyl]-1,3-dithiolan-4-yl]ethanol
CID 22601983
1,3,5,7-tetrathiocane-2-carboxylate
CID 5046220
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trithian-2-yl)ethanol?
The IUPAC name of 1-(1,3,5-trithian-2-yl)ethanol (CID 22891749) is 1-(1,3,5-trithian-2-yl)ethanol.
What is the SMILES notation for 1-(1,3,5-trithian-2-yl)ethanol?
The canonical SMILES for 1-(1,3,5-trithian-2-yl)ethanol is CC(O)C1SCSCS1.
What is the InChIKey of 1-(1,3,5-trithian-2-yl)ethanol?
The InChIKey is OWXYUVGDRUDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS3/c1-4(6)5-8-2-7-3-9-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1,3,5-trithian-2-yl)ethanol?
1-(1,3,5-trithian-2-yl)ethanol has a molecular weight of 182.33 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trithian-2-yl)ethanol is sourced from PubChem (CID 22891749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).