(2S)-4-prop-2-enylsulfanylbutan-2-ol

C7H14OS — CID 154707860

IUPAC(2S)-4-prop-2-enylsulfanylbutan-2-ol
SMILESC=CCSCC[C@H](C)O
InChIInChI=1S/C7H14OS/c1-3-5-9-6-4-7(2)8/h3,7-8H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyGGAKXTXTAWXWPJ-ZETCQYMHSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds5

About (2S)-4-prop-2-enylsulfanylbutan-2-ol

(2S)-4-prop-2-enylsulfanylbutan-2-ol (PubChem CID 154707860) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2S)-4-prop-2-enylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-prop-2-enylsulfanylbutan-2-ol
PubChem CID154707860
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2S)-4-prop-2-enylsulfanylbutan-2-ol
SMILESC=CCSCC[C@H](C)O
InChIInChI=1S/C7H14OS/c1-3-5-9-6-4-7(2)8/h3,7-8H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyGGAKXTXTAWXWPJ-ZETCQYMHSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.68
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 (2S)-4-prop-2-enylsulfanylbutan-2-ol?
The IUPAC name of (2S)-4-prop-2-enylsulfanylbutan-2-ol (CID 154707860) is (2S)-4-prop-2-enylsulfanylbutan-2-ol.
What is the SMILES notation for (2S)-4-prop-2-enylsulfanylbutan-2-ol?
The canonical SMILES for (2S)-4-prop-2-enylsulfanylbutan-2-ol is C=CCSCC[C@H](C)O.
What is the InChIKey of (2S)-4-prop-2-enylsulfanylbutan-2-ol?
The InChIKey is GGAKXTXTAWXWPJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-9-6-4-7(2)8/h3,7-8H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-4-prop-2-enylsulfanylbutan-2-ol?
(2S)-4-prop-2-enylsulfanylbutan-2-ol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-prop-2-enylsulfanylbutan-2-ol is sourced from PubChem (CID 154707860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).