ethene;1-(1-hydroxyethylsulfanyl)ethanol

C6H14O2S — CID 88706242

IUPACethene;1-(1-hydroxyethylsulfanyl)ethanol
SMILESC=C.CC(O)SC(C)O
InChIInChI=1S/C4H10O2S.C2H4/c1-3(5)7-4(2)6;1-2/h3-6H,1-2H3;1-2H2
InChIKeyFDIQXMRXQISCTM-UHFFFAOYSA-N
MW150.24 g/mol
LogP1.20
Rot. Bonds2

About ethene;1-(1-hydroxyethylsulfanyl)ethanol

ethene;1-(1-hydroxyethylsulfanyl)ethanol (PubChem CID 88706242) has the molecular formula C6H14O2S and a molecular weight of 150.24 g/mol. Its IUPAC name is ethene;1-(1-hydroxyethylsulfanyl)ethanol.

Molecular Properties

Compound Nameethene;1-(1-hydroxyethylsulfanyl)ethanol
PubChem CID88706242
Molecular FormulaC6H14O2S
Molecular Weight150.24 g/mol
Exact Mass150.07
IUPAC Nameethene;1-(1-hydroxyethylsulfanyl)ethanol
SMILESC=C.CC(O)SC(C)O
InChIInChI=1S/C4H10O2S.C2H4/c1-3(5)7-4(2)6;1-2/h3-6H,1-2H3;1-2H2
InChIKeyFDIQXMRXQISCTM-UHFFFAOYSA-N
XLogP1.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-(1-hydroxyethylsulfanyl)ethanol?
The IUPAC name of ethene;1-(1-hydroxyethylsulfanyl)ethanol (CID 88706242) is ethene;1-(1-hydroxyethylsulfanyl)ethanol.
What is the SMILES notation for ethene;1-(1-hydroxyethylsulfanyl)ethanol?
The canonical SMILES for ethene;1-(1-hydroxyethylsulfanyl)ethanol is C=C.CC(O)SC(C)O.
What is the InChIKey of ethene;1-(1-hydroxyethylsulfanyl)ethanol?
The InChIKey is FDIQXMRXQISCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C2H4/c1-3(5)7-4(2)6;1-2/h3-6H,1-2H3;1-2H2.
What are the key properties of ethene;1-(1-hydroxyethylsulfanyl)ethanol?
ethene;1-(1-hydroxyethylsulfanyl)ethanol has a molecular weight of 150.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(1-hydroxyethylsulfanyl)ethanol is sourced from PubChem (CID 88706242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).