2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol

C6H10O3S — CID 20622989

IUPAC2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol
SMILESO=S1(=O)CC=C(CCO)C1
InChIInChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h2,7H,1,3-5H2
InChIKeySJFIDFSYVXELTR-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.28
Rot. Bonds2

About 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol

2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol (PubChem CID 20622989) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol
PubChem CID20622989
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol
SMILESO=S1(=O)CC=C(CCO)C1
InChIInChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h2,7H,1,3-5H2
InChIKeySJFIDFSYVXELTR-UHFFFAOYSA-N
XLogP-0.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Methoxymethyl)-3-methyl-2,5-dihydrothiophene 1,1-dioxide
CID 10954055
2-[(2S,5S)-5-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl]ethanol
CID 134887497
2-(2,5-Dihydrothiophen-3-yl)ethanol
CID 20623011
(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)methanol
CID 164597150
2-Thiophenemethanol, 2,5-dihydro-, 1,1-dioxide
CID 45083611
(1,1-Dioxo-2,3,6,7-tetrahydrothiepin-4-yl)methanol
CID 71466744
(2E)-2-(1,1-dioxothiolan-3-ylidene)ethanol
CID 115012766

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol?
The IUPAC name of 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol (CID 20622989) is 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol is O=S1(=O)CC=C(CCO)C1.
What is the InChIKey of 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol?
The InChIKey is SJFIDFSYVXELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c7-3-1-6-2-4-10(8,9)5-6/h2,7H,1,3-5H2.
What are the key properties of 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol?
2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol has a molecular weight of 162.21 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,5-dihydrothiophen-3-yl)ethanol is sourced from PubChem (CID 20622989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).