2-(3-methylbut-2-enylsulfanyl)ethanol

C7H14OS — CID 3019040

IUPAC2-(3-methylbut-2-enylsulfanyl)ethanol
SMILESCC(C)=CCSCCO
InChIInChI=1S/C7H14OS/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3
InChIKeyIIZFSNCPYXUIHC-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.68
Rot. Bonds4

About 2-(3-methylbut-2-enylsulfanyl)ethanol

2-(3-methylbut-2-enylsulfanyl)ethanol (PubChem CID 3019040) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(3-methylbut-2-enylsulfanyl)ethanol
PubChem CID3019040
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(3-methylbut-2-enylsulfanyl)ethanol
SMILESCC(C)=CCSCCO
InChIInChI=1S/C7H14OS/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3
InChIKeyIIZFSNCPYXUIHC-UHFFFAOYSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
2-[(Prop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 12950001
2-(2-Buten-1-ylthio)ethanol
CID 3019037
2-(2-Butenylthio)ethanol
CID 6365819
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
2-((3-Methylbut-3-enyl)thio)ethanol
CID 3019038
2-[(2-Methyl-2-buten-1-yl)thio]ethanol
CID 3019041
2-((2-Methylbut-2-enyl)thio)ethanol
CID 6365820
2-[(2-Methylprop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 14602236
(1S)-1-prop-2-enylsulfanylethanol
CID 87997259
1-Prop-2-enylsulfanylethanol
CID 88076420
3-Methyl-1-methylsulfanylbut-2-en-1-ol
CID 90708887

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylsulfanyl)ethanol?
The IUPAC name of 2-(3-methylbut-2-enylsulfanyl)ethanol (CID 3019040) is 2-(3-methylbut-2-enylsulfanyl)ethanol.
What is the SMILES notation for 2-(3-methylbut-2-enylsulfanyl)ethanol?
The canonical SMILES for 2-(3-methylbut-2-enylsulfanyl)ethanol is CC(C)=CCSCCO.
What is the InChIKey of 2-(3-methylbut-2-enylsulfanyl)ethanol?
The InChIKey is IIZFSNCPYXUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-7(2)3-5-9-6-4-8/h3,8H,4-6H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enylsulfanyl)ethanol?
2-(3-methylbut-2-enylsulfanyl)ethanol has a molecular weight of 146.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylsulfanyl)ethanol is sourced from PubChem (CID 3019040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).