2-prop-2-enylsulfanylethanol

C5H10OS — CID 12950001

IUPAC2-prop-2-enylsulfanylethanol
SMILESC=CCSCCO
InChIInChI=1S/C5H10OS/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
InChIKeyTXVPENUAAUDPOH-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.90
Rot. Bonds4

About 2-prop-2-enylsulfanylethanol

2-prop-2-enylsulfanylethanol (PubChem CID 12950001) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylethanol.

Molecular Properties

Compound Name2-prop-2-enylsulfanylethanol
PubChem CID12950001
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-prop-2-enylsulfanylethanol
SMILESC=CCSCCO
InChIInChI=1S/C5H10OS/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
InChIKeyTXVPENUAAUDPOH-UHFFFAOYSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.90
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-prop-2-enylsulfanylethanol?
The IUPAC name of 2-prop-2-enylsulfanylethanol (CID 12950001) is 2-prop-2-enylsulfanylethanol.
What is the SMILES notation for 2-prop-2-enylsulfanylethanol?
The canonical SMILES for 2-prop-2-enylsulfanylethanol is C=CCSCCO.
What is the InChIKey of 2-prop-2-enylsulfanylethanol?
The InChIKey is TXVPENUAAUDPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-2-4-7-5-3-6/h2,6H,1,3-5H2.
What are the key properties of 2-prop-2-enylsulfanylethanol?
2-prop-2-enylsulfanylethanol has a molecular weight of 118.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylethanol is sourced from PubChem (CID 12950001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).