1-(1,3-dithiolan-4-yl)ethanol

C5H10OS2 — CID 174420309

IUPAC1-(1,3-dithiolan-4-yl)ethanol
SMILESCC(O)C1CSCS1
InChIInChI=1S/C5H10OS2/c1-4(6)5-2-7-3-8-5/h4-6H,2-3H2,1H3
InChIKeyGSZYVVOXXLUUAC-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.17
Rot. Bonds1

About 1-(1,3-dithiolan-4-yl)ethanol

1-(1,3-dithiolan-4-yl)ethanol (PubChem CID 174420309) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 1-(1,3-dithiolan-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-dithiolan-4-yl)ethanol
PubChem CID174420309
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name1-(1,3-dithiolan-4-yl)ethanol
SMILESCC(O)C1CSCS1
InChIInChI=1S/C5H10OS2/c1-4(6)5-2-7-3-8-5/h4-6H,2-3H2,1H3
InChIKeyGSZYVVOXXLUUAC-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dithiolan-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3,5-trithian-2-yl)ethanol
CID 22891749
5-(1-hydroxyethyl)thiolan-3-one
CID 130038065
1-[2-[[4-(1-hydroxyethyl)-1,3-dithiolan-2-yl]methylsulfanylmethylsulfanylmethyl]-1,3-dithiolan-4-yl]ethanol
CID 22601983
1,3-dithian-5-ylmethanediol
CID 87303557
1-(1,4-dithian-2-yl)-5-methylhexan-1-ol
CID 83161548
2-propan-2-ylthiirane;hydrochloride
CID 175181688
1,3-dithiolane-4-carboxylic acid;2-(methylamino)propanoic acid
CID 159657457
1-(1,3,5-trithian-2-yl)ethanethiol
CID 174398696
1,3-dithiolan-4-amine
CID 87304051
1,4-dithian-2-yl-(4-methylcyclohexyl)methanol
CID 79973457
(3,5-dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
CID 79972462
1-(1,4-dithian-2-yl)ethyl acetate
CID 174451330

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-4-yl)ethanol?
The IUPAC name of 1-(1,3-dithiolan-4-yl)ethanol (CID 174420309) is 1-(1,3-dithiolan-4-yl)ethanol.
What is the SMILES notation for 1-(1,3-dithiolan-4-yl)ethanol?
The canonical SMILES for 1-(1,3-dithiolan-4-yl)ethanol is CC(O)C1CSCS1.
What is the InChIKey of 1-(1,3-dithiolan-4-yl)ethanol?
The InChIKey is GSZYVVOXXLUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-4(6)5-2-7-3-8-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(1,3-dithiolan-4-yl)ethanol?
1-(1,3-dithiolan-4-yl)ethanol has a molecular weight of 150.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-4-yl)ethanol is sourced from PubChem (CID 174420309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).