2-(1-benzofuran-3-ylsulfanyl)ethanol

C10H10O2S — CID 116852716

IUPAC2-(1-benzofuran-3-ylsulfanyl)ethanol
SMILESOCCSc1coc2ccccc12
InChIInChI=1S/C10H10O2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,11H,5-6H2
InChIKeyJTMSSQSGQUOLEA-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-benzofuran-3-ylsulfanyl)ethanol

2-(1-benzofuran-3-ylsulfanyl)ethanol (PubChem CID 116852716) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(1-benzofuran-3-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1-benzofuran-3-ylsulfanyl)ethanol
PubChem CID116852716
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-(1-benzofuran-3-ylsulfanyl)ethanol
SMILESOCCSc1coc2ccccc12
InChIInChI=1S/C10H10O2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,11H,5-6H2
InChIKeyJTMSSQSGQUOLEA-UHFFFAOYSA-N
XLogP2.52
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxyethylsulfanyl)chromen-2-one
CID 119082990
N-(1-benzofuran-3-ylsulfanyl)hydroxylamine
CID 137418100
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-benzofuran-3-amine
CID 18373424
1-benzofuran-3-ol;methane
CID 175138306
3-benzhydryl-1-benzofuran
CID 53493031
3-(1-benzofuran-3-yl)prop-2-en-1-ol
CID 169453429
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
1-amino-3-(1-benzofuran-3-yl)propan-2-ol
CID 116859204
2-[9-(2-hydroxyethylsulfanyl)acridin-1-yl]sulfanylethanol
CID 71336174
3-[(2-ethylimidazol-1-yl)methylsulfanyl]chromen-4-one
CID 67928696

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-ylsulfanyl)ethanol?
The IUPAC name of 2-(1-benzofuran-3-ylsulfanyl)ethanol (CID 116852716) is 2-(1-benzofuran-3-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(1-benzofuran-3-ylsulfanyl)ethanol?
The canonical SMILES for 2-(1-benzofuran-3-ylsulfanyl)ethanol is OCCSc1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-ylsulfanyl)ethanol?
The InChIKey is JTMSSQSGQUOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-5-6-13-10-7-12-9-4-2-1-3-8(9)10/h1-4,7,11H,5-6H2.
What are the key properties of 2-(1-benzofuran-3-ylsulfanyl)ethanol?
2-(1-benzofuran-3-ylsulfanyl)ethanol has a molecular weight of 194.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-ylsulfanyl)ethanol is sourced from PubChem (CID 116852716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).