1-ethenylsulfanylethanol

C4H8OS — CID 3014169

IUPAC1-ethenylsulfanylethanol
SMILESC=CSC(C)O
InChIInChI=1S/C4H8OS/c1-3-6-4(2)5/h3-5H,1H2,2H3
InChIKeyXBSXOHLQFBHTPM-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.20
Rot. Bonds2

About 1-ethenylsulfanylethanol

1-ethenylsulfanylethanol (PubChem CID 3014169) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 1-ethenylsulfanylethanol.

Molecular Properties

Compound Name1-ethenylsulfanylethanol
PubChem CID3014169
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name1-ethenylsulfanylethanol
SMILESC=CSC(C)O
InChIInChI=1S/C4H8OS/c1-3-6-4(2)5/h3-5H,1H2,2H3
InChIKeyXBSXOHLQFBHTPM-UHFFFAOYSA-N
XLogP1.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylethanol?
The IUPAC name of 1-ethenylsulfanylethanol (CID 3014169) is 1-ethenylsulfanylethanol.
What is the SMILES notation for 1-ethenylsulfanylethanol?
The canonical SMILES for 1-ethenylsulfanylethanol is C=CSC(C)O.
What is the InChIKey of 1-ethenylsulfanylethanol?
The InChIKey is XBSXOHLQFBHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-3-6-4(2)5/h3-5H,1H2,2H3.
What are the key properties of 1-ethenylsulfanylethanol?
1-ethenylsulfanylethanol has a molecular weight of 104.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylethanol is sourced from PubChem (CID 3014169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).