2-[(E)-but-2-enyl]sulfanylethanol

C6H12OS — CID 6365819

IUPAC2-[(E)-but-2-enyl]sulfanylethanol
SMILESC/C=C/CSCCO
InChIInChI=1S/C6H12OS/c1-2-3-5-8-6-4-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyCVRGMEGHJGCFII-NSCUHMNNSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds4

About 2-[(E)-but-2-enyl]sulfanylethanol

2-[(E)-but-2-enyl]sulfanylethanol (PubChem CID 6365819) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfanylethanol.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfanylethanol
PubChem CID6365819
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-[(E)-but-2-enyl]sulfanylethanol
SMILESC/C=C/CSCCO
InChIInChI=1S/C6H12OS/c1-2-3-5-8-6-4-7/h2-3,7H,4-6H2,1H3/b3-2+
InChIKeyCVRGMEGHJGCFII-NSCUHMNNSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]sulfanylethanol?
The IUPAC name of 2-[(E)-but-2-enyl]sulfanylethanol (CID 6365819) is 2-[(E)-but-2-enyl]sulfanylethanol.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfanylethanol?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfanylethanol is C/C=C/CSCCO.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfanylethanol?
The InChIKey is CVRGMEGHJGCFII-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-3-5-8-6-4-7/h2-3,7H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]sulfanylethanol?
2-[(E)-but-2-enyl]sulfanylethanol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfanylethanol is sourced from PubChem (CID 6365819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).