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

C7H14OS — CID 3019039

IUPAC2-(2-methylbut-3-enylsulfanyl)ethanol
SMILESC=CC(C)CSCCO
InChIInChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,7-8H,1,4-6H2,2H3
InChIKeyMJYSSWQJAPKUNM-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.53
Rot. Bonds5

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

2-(2-methylbut-3-enylsulfanyl)ethanol (PubChem CID 3019039) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methylbut-3-enylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-methylbut-3-enylsulfanyl)ethanol
PubChem CID3019039
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylbut-3-enylsulfanyl)ethanol
SMILESC=CC(C)CSCCO
InChIInChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,7-8H,1,4-6H2,2H3
InChIKeyMJYSSWQJAPKUNM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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-(2-methylbut-3-enylsulfanyl)ethanol?
The IUPAC name of 2-(2-methylbut-3-enylsulfanyl)ethanol (CID 3019039) is 2-(2-methylbut-3-enylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-methylbut-3-enylsulfanyl)ethanol?
The canonical SMILES for 2-(2-methylbut-3-enylsulfanyl)ethanol is C=CC(C)CSCCO.
What is the InChIKey of 2-(2-methylbut-3-enylsulfanyl)ethanol?
The InChIKey is MJYSSWQJAPKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-(2-methylbut-3-enylsulfanyl)ethanol?
2-(2-methylbut-3-enylsulfanyl)ethanol has a molecular weight of 146.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-enylsulfanyl)ethanol is sourced from PubChem (CID 3019039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).