(1S)-1-prop-2-enylsulfanylethanol

C5H10OS — CID 87997259

IUPAC(1S)-1-prop-2-enylsulfanylethanol
SMILESC=CCS[C@@H](C)O
InChIInChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m0/s1
InChIKeyMPHBCDURRGLXBM-YFKPBYRVSA-N
MW118.20 g/mol
LogP1.24
Rot. Bonds3

About (1S)-1-prop-2-enylsulfanylethanol

(1S)-1-prop-2-enylsulfanylethanol (PubChem CID 87997259) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (1S)-1-prop-2-enylsulfanylethanol.

Molecular Properties

Compound Name(1S)-1-prop-2-enylsulfanylethanol
PubChem CID87997259
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(1S)-1-prop-2-enylsulfanylethanol
SMILESC=CCS[C@@H](C)O
InChIInChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m0/s1
InChIKeyMPHBCDURRGLXBM-YFKPBYRVSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1S)-1-prop-2-enylsulfanylethanol?
The IUPAC name of (1S)-1-prop-2-enylsulfanylethanol (CID 87997259) is (1S)-1-prop-2-enylsulfanylethanol.
What is the SMILES notation for (1S)-1-prop-2-enylsulfanylethanol?
The canonical SMILES for (1S)-1-prop-2-enylsulfanylethanol is C=CCS[C@@H](C)O.
What is the InChIKey of (1S)-1-prop-2-enylsulfanylethanol?
The InChIKey is MPHBCDURRGLXBM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m0/s1.
What are the key properties of (1S)-1-prop-2-enylsulfanylethanol?
(1S)-1-prop-2-enylsulfanylethanol has a molecular weight of 118.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-prop-2-enylsulfanylethanol is sourced from PubChem (CID 87997259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).