2-(2-hydroxyethylsulfinyl)ethanol

C4H10O3S — CID 18330

IUPAC2-(2-hydroxyethylsulfinyl)ethanol
SMILESO=S(CCO)CCO
InChIInChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2
InChIKeyXHKPPUVICXLDRJ-UHFFFAOYSA-N
MW138.19 g/mol
LogP-1.28
Rot. Bonds4

About 2-(2-hydroxyethylsulfinyl)ethanol

2-(2-hydroxyethylsulfinyl)ethanol (PubChem CID 18330) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfinyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfinyl)ethanol
PubChem CID18330
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Name2-(2-hydroxyethylsulfinyl)ethanol
SMILESO=S(CCO)CCO
InChIInChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2
InChIKeyXHKPPUVICXLDRJ-UHFFFAOYSA-N
XLogP-1.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyethylsulfonyl)ethylsulfinyl]ethanol
CID 101405173
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
1-(2-hydroxyethylsulfinyl)octadecane-3,6,9-trione
CID 18934385
3-pentylsulfinylpropan-1-ol
CID 12518269
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
2-[(4-bromophenyl)methylsulfinyl]ethanol
CID 123105993
S-(2-hydroxyethyl) 2-[2-[2-[2-[2-[2-(2-hydroxyethylsulfinyl)ethylsulfanylmethylsulfanyl]acetyl]sulfanylethylsulfanylmethylsulfanyl]ethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate
CID 58670687
hydroxymethanesulfinate
CID 3566445
ethane-1,2-diol;methylsulfinylmethane
CID 18757553
6-[3-(6-hydroxy-4,4-dimethylhexyl)sulfinylpropylsulfinyl]-3,3-dimethylhexan-1-ol
CID 18752634
S-(2-hydroxyethyl) 2-[2-[[2-[2-(2-hydroxyethylsulfinyl)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]ethanethioate
CID 58671322
S-(2-hydroxyethyl) 2-[2-[[2-[2-(2-hydroxyethylsulfinyl)ethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanyl]ethanethioate
CID 58670889

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfinyl)ethanol?
The IUPAC name of 2-(2-hydroxyethylsulfinyl)ethanol (CID 18330) is 2-(2-hydroxyethylsulfinyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylsulfinyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylsulfinyl)ethanol is O=S(CCO)CCO.
What is the InChIKey of 2-(2-hydroxyethylsulfinyl)ethanol?
The InChIKey is XHKPPUVICXLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c5-1-3-8(7)4-2-6/h5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethylsulfinyl)ethanol?
2-(2-hydroxyethylsulfinyl)ethanol has a molecular weight of 138.19 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfinyl)ethanol is sourced from PubChem (CID 18330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).