2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane

C12H24O4S2 — CID 157058556

IUPAC2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane
SMILESC1CO1.C=CSCCO.C=CSCCOCCO
InChIInChI=1S/C6H12O2S.C4H8OS.C2H4O/c1-2-9-6-5-8-4-3-7;1-2-6-4-3-5;1-2-3-1/h2,7H,1,3-6H2;2,5H,1,3-4H2;1-2H2
InChIKeyABAUMJOXVGYESR-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.74
Rot. Bonds9

About 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane

2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane (PubChem CID 157058556) has the molecular formula C12H24O4S2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane.

Molecular Properties

Compound Name2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane
PubChem CID157058556
Molecular FormulaC12H24O4S2
Molecular Weight296.45 g/mol
Exact Mass296.11
IUPAC Name2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane
SMILESC1CO1.C=CSCCO.C=CSCCOCCO
InChIInChI=1S/C6H12O2S.C4H8OS.C2H4O/c1-2-9-6-5-8-4-3-7;1-2-6-4-3-5;1-2-3-1/h2,7H,1,3-6H2;2,5H,1,3-4H2;1-2H2
InChIKeyABAUMJOXVGYESR-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethoxy)-2-ethenylsulfanylethane
CID 55298542
2-[1-(2-ethenylsulfanylethoxy)propan-2-yloxy]ethanol
CID 122537097
ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanolate;methane;oxirane
CID 159788755
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
CID 159345993
CID 159345993
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane?
The IUPAC name of 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane (CID 157058556) is 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane.
What is the SMILES notation for 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane?
The canonical SMILES for 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane is C1CO1.C=CSCCO.C=CSCCOCCO.
What is the InChIKey of 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane?
The InChIKey is ABAUMJOXVGYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C4H8OS.C2H4O/c1-2-9-6-5-8-4-3-7;1-2-6-4-3-5;1-2-3-1/h2,7H,1,3-6H2;2,5H,1,3-4H2;1-2H2.
What are the key properties of 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane?
2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane has a molecular weight of 296.45 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethanol;2-(2-ethenylsulfanylethoxy)ethanol;oxirane is sourced from PubChem (CID 157058556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).